2-(3,4-dimethoxyphenyl)-8-methyl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-methyl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-methyl-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-methyl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-methyl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-methyl-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C22H21NO2S2 MolecularWeight: 395.53764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC(S2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC(S2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

InChI

InChI=1S/C22H21NO2S2/c1-14-6-8-16-22(11-14)27-21(13-17(23-16)20-5-4-10-26-20)15-7-9-18(24-2)19(12-15)25-3/h4-13,21,23H,1-3H3