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

Systemtic Name: 4-(4-methylphenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 3-(4-nitrophenoxy)-2-(3-nitrophenyl)-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-methylphenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-methylphenyl)-3-(4-nitrophenoxy)-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 3-(4-nitrophenoxy)-2-(3-nitrophenyl)-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine Formula: C28H21N3O5S MolecularWeight: 511.54844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-])OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-])OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O5S/c1-18-9-11-19(12-10-18)26-27(36-23-15-13-21(14-16-23)30(32)33)28(20-5-4-6-22(17-20)31(34)35)37-25-8-3-2-7-24(25)29-26/h2-17,28-29H,1H3