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

Systemtic Name: (2R)-4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: (2R)-2-(4-nitrophenyl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: (2R)-4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: (2R)-4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: (2R)-2-(4-nitrophenyl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S[C@H](C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O2S/c1-15-6-8-16(9-7-15)20-14-22(17-10-12-18(13-11-17)24(25)26)27-21-5-3-2-4-19(21)23-20/h2-13,22H,14H2,1H3/t22-/m1/s1