2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-9-methoxy-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-9-methoxy-2,3-dihydro-1,5-benzothiazepine Openeye Name: 2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-9-methoxy-2,3-dihydro-1,5-benzothiazepine CAS Name: 2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-9-methoxy-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-9-methoxy-2,3-dihydro-1,5-benzothiazepine Traditional Name: 2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-9-methoxy-2,3-dihydro-1,5-benzothiazepine Formula: C22H16Cl3NOS MolecularWeight: 448.79254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1SC(CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC2=C1SC(CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16Cl3NOS/c1-27-20-4-2-3-18-22(20)28-21(13-5-7-14(23)8-6-13)12-19(26-18)16-10-9-15(24)11-17(16)25/h2-11,21H,12H2,1H3