methyl 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C15H11NO3S MolecularWeight: 285.31774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H11NO3S/c1-19-15(18)9-6-7-13-11(8-9)16-14(17)10-4-2-3-5-12(10)20-13/h2-8H,1H3,(H,16,17)