5-(1H-imidazol-2-ylmethyl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(1H-imidazol-2-ylmethyl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(1H-imidazol-2-ylmethyl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(1H-imidazol-2-ylmethyl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(1H-imidazol-2-ylmethyl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(1H-imidazol-2-ylmethyl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzothiazepine Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3C(F)(F)F)CC4=NC=CN4

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3C(F)(F)F)CC4=NC=CN4

InChI

InChI=1S/C21H20F3N3OS/c1-28-14-6-7-17-19(12-14)29-18(8-11-27(17)13-20-25-9-10-26-20)15-4-2-3-5-16(15)21(22,23)24/h2-7,9-10,12,18H,8,11,13H2,1H3,(H,25,26)