338829 <common-name>Pentyl 2-cyano-2-[(3z)-3-[(6-methoxy-1,3-benzothiazol-2-yl)imino]isoindol-1-ylidene]acetate</common-name> <description>Pentyl 2-cyano-2-[(3z)-3-[(6-methoxy-1,3-benzothiazol-2-yl)imino]isoindol-1-ylidene]acetate is a chemical compound with the formula C24H22N4O3S. It has an average molecular weight of 446.50 g/mol.</description> <cas>173285-74-0</cas> <pubchem-id>165361740</pubchem-id> <chemical-formula>C24H22N4O3S</chemical-formula> <weight>446.5</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">2026-08-30T21:59:16Z</created-at> <updated-at type="dateTime">2026-08-30T21:59:16Z</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>CCCCCOC(=O)C(=C1C2=CC=CC=C2C(=NC3=NC4=C(S3)C=C(C=C4)OC)N1)C#N</moldb-smiles> <moldb-formula>C24H22N4O3S</moldb-formula> <moldb-inchi>InChI=1S/C24H22N4O3S/c1-3-4-7-12-31-23(29)18(14-25)21-16-8-5-6-9-17(16)22(27-21)28-24-26-19-11-10-15(30-2)13-20(19)32-24/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,26,27,28)</moldb-inchi> <moldb-inchikey>OPXROYUXHNRIHI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">446.1412618</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM334722</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>Pentyl 2-cyano-2-[(3z)-3-[(6-methoxy-1,3-benzothiazol-2-yl)imino]isoindol-1-ylidene]acetate</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>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0289255</sync-id> <structure-inchikey>OPXROYUXHNRIHI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000010002000000000800000000000000000000002000000200000008000002000000000000000000000000000040800000000000004000000010000000004000020000030080100004204000000000000040220110000008040000020100400000100000000000040000080000040000000000048000000804000200000000000000000000100000000000040004000000000000000000000004000088000000020000008000000000000000000000080000000000000000040000000000000040000000000000002000200000000000000010000000009002040000000010600000800000008000000010000000000</structure-fingerprint> 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