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

Systemtic Name: 2,4-bis(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 3-(4-nitrophenoxy)-2,4-bis(p-tolyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2,4-bis(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2,4-bis(4-methylphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 3-(4-nitrophenoxy)-2,4-bis(p-tolyl)-2,5-dihydro-1,5-benzothiazepine Formula: C29H24N2O3S MolecularWeight: 480.57746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H24N2O3S/c1-19-7-11-21(12-8-19)27-28(34-24-17-15-23(16-18-24)31(32)33)29(22-13-9-20(2)10-14-22)35-26-6-4-3-5-25(26)30-27/h3-18,29-30H,1-2H3