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

Systemtic Name: methyl 7,8-dimethoxy-3-(4-methylphenyl)-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Openeye Name: methyl 7,8-dimethoxy-3-(p-tolyl)-4,5-dihydro-1,4-benzothiazepine-2-carboxylate CAS Name: 7,8-dimethoxy-3-(4-methylphenyl)-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethoxy-3-(4-methylphenyl)-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Traditional Name: 7,8-dimethoxy-3-(p-tolyl)-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=CC(=C(C=C3CN2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=CC(=C(C=C3CN2)OC)OC)C(=O)OC

InChI

InChI=1S/C20H21NO4S/c1-12-5-7-13(8-6-12)18-19(20(22)25-4)26-17-10-16(24-3)15(23-2)9-14(17)11-21-18/h5-10,21H,11H2,1-4H3