methyl 6,11-bis(oxidanylidene)-5H-benzo[b][1,4]benzothiazepine-2-carboxylate

Systemtic Name: methyl 6,11-bis(oxidanylidene)-5H-benzo[b][1,4]benzothiazepine-2-carboxylate Openeye Name: methyl 6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-2-carboxylate CAS Name: 6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-2-carboxylate Traditional Name: 6,11-diketo-5H-benzo[b][1,4]benzothiazepine-2-carboxylic acid methyl ester Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(=O)C3=CC=CC=C3S2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC(=O)C3=CC=CC=C3S2=O

InChI

InChI=1S/C15H11NO4S/c1-20-15(18)9-6-7-11-13(8-9)21(19)12-5-3-2-4-10(12)14(17)16-11/h2-8H,1H3,(H,16,17)