4-(4-methoxyphenyl)-2-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(4-methoxyphenyl)-2-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-methoxyphenyl)-2-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-methoxyphenyl)-2-(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H24N2O4S/c1-19-7-9-21(10-8-19)29-28(35-24-17-13-22(14-18-24)31(32)33)27(20-11-15-23(34-2)16-12-20)30-25-5-3-4-6-26(25)36-29/h3-18,29-30H,1-2H3