(2R)-2-(4-methylphenyl)-4-(4-pyrrol-1-ylphenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: (2R)-2-(4-methylphenyl)-4-(4-pyrrol-1-ylphenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: (2R)-2-(p-tolyl)-4-(4-pyrrol-1-ylphenyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: (2R)-2-(4-methylphenyl)-4-[4-(1-pyrrolyl)phenyl]-2,3-dihydro-1,5-benzothiazepine IUPAC Name: (2R)-2-(4-methylphenyl)-4-(4-pyrrol-1-ylphenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: (2R)-2-(p-tolyl)-4-(4-pyrrol-1-ylphenyl)-2,3-dihydro-1,5-benzothiazepine Formula: C26H22N2S MolecularWeight: 394.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C26H22N2S/c1-19-8-10-21(11-9-19)26-18-24(27-23-6-2-3-7-25(23)29-26)20-12-14-22(15-13-20)28-16-4-5-17-28/h2-17,26H,18H2,1H3/t26-/m1/s1