2-(2-methoxyphenyl)-8-methyl-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(2-methoxyphenyl)-8-methyl-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(2-methoxyphenyl)-8-methyl-5-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(2-methoxyphenyl)-8-methyl-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(2-methoxyphenyl)-8-methyl-5-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(2-methoxyphenyl)-8-methyl-5-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3OC)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC(S2)C3=CC=CC=C3OC)CC4=CC=NC=C4

InChI

InChI=1S/C23H24N2OS/c1-17-7-8-20-23(15-17)27-22(19-5-3-4-6-21(19)26-2)11-14-25(20)16-18-9-12-24-13-10-18/h3-10,12-13,15,22H,11,14,16H2,1-2H3