2-(3-fluorophenyl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(3-fluorophenyl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(3-fluorophenyl)-8-methoxy-5-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(3-fluorophenyl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(3-fluorophenyl)-8-methoxy-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(3-fluorophenyl)-8-methoxy-5-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H21FN2OS MolecularWeight: 380.478343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC(=CC=C3)F)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC(S2)C3=CC(=CC=C3)F)CC4=CC=NC=C4

InChI

InChI=1S/C22H21FN2OS/c1-26-19-5-6-20-22(14-19)27-21(17-3-2-4-18(23)13-17)9-12-25(20)15-16-7-10-24-11-8-16/h2-8,10-11,13-14,21H,9,12,15H2,1H3