(2R)-4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: (2R)-4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: (2R)-4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: (2R)-4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: (2R)-4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: (2R)-4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine Formula: C23H20BrNO2S MolecularWeight: 454.3794

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=C(C=C4)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrNO2S/c1-26-20-12-9-16(13-21(20)27-2)23-14-19(15-7-10-17(24)11-8-15)25-18-5-3-4-6-22(18)28-23/h3-13,23H,14H2,1-2H3/t23-/m1/s1