dimethyl 5-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(6-oxo-5H-benzo[b][1,4]benzothiazepin-3-yl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-keto-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C(=O)OC

InChI

InChI=1S/C24H18N2O6S/c1-31-23(29)14-9-15(24(30)32-2)11-16(10-14)25-21(27)13-7-8-20-18(12-13)26-22(28)17-5-3-4-6-19(17)33-20/h3-12H,1-2H3,(H,25,27)(H,26,28)