methyl 5-[(2-chlorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 5-[(2-chlorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-[(2-chlorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(2-chlorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-chlorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(2-chlorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C22H16ClNO3S MolecularWeight: 409.88534

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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=C4Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClNO3S/c1-27-22(26)14-10-11-20-18(12-14)24(13-15-6-2-4-8-17(15)23)21(25)16-7-3-5-9-19(16)28-20/h2-12H,13H2,1H3