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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-methoxy-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-methoxy-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-methoxy-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-methoxy-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-methoxy-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C22H21NO3S2 MolecularWeight: 411.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=CC(S2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=CC(S2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

InChI

InChI=1S/C22H21NO3S2/c1-24-15-7-8-16-22(12-15)28-21(13-17(23-16)20-5-4-10-27-20)14-6-9-18(25-2)19(11-14)26-3/h4-13,21,23H,1-3H3