methyl 6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-benzyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-benzyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H17NO3S/c1-26-22(25)16-11-12-20-18(13-16)23(14-15-7-3-2-4-8-15)21(24)17-9-5-6-10-19(17)27-20/h2-13H,14H2,1H3