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

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepine-2-carboxylic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(SC3=CC(=C(C=C3CN2)OC)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(SC3=CC(=C(C=C3CN2)OC)OC)C(=O)OC)OC

InChI

InChI=1S/C21H23NO6S/c1-24-14-7-6-12(8-15(14)25-2)19-20(21(23)28-5)29-18-10-17(27-4)16(26-3)9-13(18)11-22-19/h6-10,22H,11H2,1-5H3