331522 <common-name>Ethyl 2-[(4-ethoxycarbonylphenyl)methylamino]-7-methyl-3-oxo-4h-1,4-benzothiazine-2-carboxylate</common-name> <description>Ethyl 2-[(4-ethoxycarbonylphenyl)methylamino]-7-methyl-3-oxo-4h-1,4-benzothiazine-2-carboxylate is a chemical compound with the formula C22H24N2O5S. It has an average molecular weight of 428.50 g/mol.</description> <cas>130832-81-4</cas> <pubchem-id>3076344</pubchem-id> <chemical-formula>C22H24N2O5S</chemical-formula> <weight>428.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T12:21:52Z</created-at> <updated-at type="dateTime">2026-08-30T12:21:52Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCOC(=O)C1=CC=C(C=C1)CNC2(C(=O)NC3=C(S2)C=C(C=C3)C)C(=O)OCC</moldb-smiles> <moldb-formula>C22H24N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C22H24N2O5S/c1-4-28-19(25)16-9-7-15(8-10-16)13-23-22(21(27)29-5-2)20(26)24-17-11-6-14(3)12-18(17)30-22/h6-12,23H,4-5,13H2,1-3H3,(H,24,26)</moldb-inchi> <moldb-inchikey>SSKBHPLBEMXKRD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">428.140593</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM327415</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Ethyl 2-[(4-ethoxycarbonylphenyl)methylamino]-7-methyl-3-oxo-4h-1,4-benzothiazine-2-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzothiazines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0282056</sync-id> <structure-inchikey>SSKBHPLBEMXKRD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20800008000000000050000000000000000000001020010000000002000220000000000000000000000000000000000002000000000090000000000000000000000002000000020020400010000100004000000000010000000400010000004000000000100000000000000000040000000000000004000000000048000000000000600000000180000000080000000010020000000000000000000000000000000000084000000000000200000000000000000000200000000000000000000000000000080000000000004000002000000220000000000000000100000000000040000000000400000000000000020080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGAGAAAAACAgcAYAAA AAIBBgAgAAAABAYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGQCgAAAADBAZA KAAAAAMEEAAgAAAAAgZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBgBgAAAAAQMGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYA YAAAAAEDCwABAAECAAIDIAMEKAIDBSAFBmgMBgdoDAcIaAwICWgMCQpoDAgL AAsMAAwNAA0OAA4PKAIOECAQESAREmgMEhMAEhRoDBQVaAwVFmgMFhdoDBUY AA0ZABkaKAIZGyAbHAAcHQAKBWgMEw0AFxFoDEIDAAAABgUKCQgHBgYOEBES Ew0GFBUWFxESFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:00Z</structure-indexed-at> </compound>