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

Systemtic Name: 2-(2-chlorophenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(2-chlorophenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(2-chlorophenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(2-chlorophenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(2-chlorophenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Formula: C27H19ClN2O3S MolecularWeight: 486.96936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC=CC=C4Cl)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC=CC=C4Cl)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19ClN2O3S/c28-22-11-5-4-10-21(22)27-26(33-20-16-14-19(15-17-20)30(31)32)25(18-8-2-1-3-9-18)29-23-12-6-7-13-24(23)34-27/h1-17,27,29H