methyl 11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1,4]benzothiazepine-9-carboxylate

Systemtic Name: methyl 11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1,4]benzothiazepine-9-carboxylate Openeye Name: methyl 11,11-dioxo-5,6-dihydrobenzo[b][1,4]benzothiazepine-9-carboxylate CAS Name: 11,11-dioxo-5,6-dihydrobenzo[b][1,4]benzothiazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 11,11-dioxo-5,6-dihydrobenzo[b][1,4]benzothiazepine-9-carboxylate Traditional Name: 11,11-diketo-5,6-dihydrobenzo[b][1,4]benzothiazepine-9-carboxylic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CNC3=CC=CC=C3S2(=O)=O)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CNC3=CC=CC=C3S2(=O)=O)C=C1

InChI

InChI=1S/C15H13NO4S/c1-20-15(17)10-6-7-11-9-16-12-4-2-3-5-13(12)21(18,19)14(11)8-10/h2-8,16H,9H2,1H3