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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C21H19NO2S2 MolecularWeight: 381.51106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=CC=CS4)OC

InChI

InChI=1S/C21H19NO2S2/c1-23-17-10-9-14(12-18(17)24-2)21-13-16(19-8-5-11-25-19)22-15-6-3-4-7-20(15)26-21/h3-13,21-22H,1-2H3