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

Systemtic Name: 4-(4-methylphenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 3-(4-nitrophenoxy)-2-phenyl-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-methylphenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-methylphenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 3-(4-nitrophenoxy)-2-phenyl-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22N2O3S/c1-19-11-13-20(14-12-19)26-27(33-23-17-15-22(16-18-23)30(31)32)28(21-7-3-2-4-8-21)34-25-10-6-5-9-24(25)29-26/h2-18,28-29H,1H3