[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H13N3O3S/c23-17(22-19-21-14-7-3-4-8-16(14)26-19)11-25-18(24)15-10-9-12-5-1-2-6-13(12)20-15/h1-10H,11H2,(H,21,22,23)