methyl 3-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-(6-oxo-5H-benzo[b][1,4]benzothiazepin-3-yl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(6-keto-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C20H14N2O4S2 MolecularWeight: 410.46616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H14N2O4S2/c1-26-20(25)17-13(8-9-27-17)21-18(23)11-6-7-16-14(10-11)22-19(24)12-4-2-3-5-15(12)28-16/h2-10H,1H3,(H,21,23)(H,22,24)