methyl 3-(2-chlorophenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate

Systemtic Name: methyl 3-(2-chlorophenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Openeye Name: methyl 3-(2-chlorophenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate CAS Name: 3-(2-chlorophenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-chlorophenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Traditional Name: 3-(2-chlorophenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC(=C(S2)C(=O)OC)C3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC(=C(S2)C(=O)OC)C3=CC=CC=C3Cl)OC

InChI

InChI=1S/C19H18ClNO4S/c1-23-14-8-11-10-21-17(12-6-4-5-7-13(12)20)18(19(22)25-3)26-16(11)9-15(14)24-2/h4-9,21H,10H2,1-3H3