(2S)-2-(2-chloranyl-3,4-dimethoxy-phenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: (2S)-2-(2-chloranyl-3,4-dimethoxy-phenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine Openeye Name: (2S)-2-(2-chloro-3,4-dimethoxy-phenyl)-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: (2S)-2-(2-chloro-3,4-dimethoxyphenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine IUPAC Name: (2S)-2-(2-chloro-3,4-dimethoxyphenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine Traditional Name: (2S)-2-(2-chloro-3,4-dimethoxy-phenyl)-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine Formula: C21H18ClNO2S2 MolecularWeight: 415.95612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@@H]2CC(=NC3=CC=CC=C3S2)C4=CC=CS4)Cl)OC

InChI

InChI=1S/C21H18ClNO2S2/c1-24-16-10-9-13(20(22)21(16)25-2)19-12-15(17-8-5-11-26-17)23-14-6-3-4-7-18(14)27-19/h3-11,19H,12H2,1-2H3/t19-/m0/s1