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

Systemtic Name: 3-(4-nitrophenoxy)-2,4-diphenyl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 3-(4-nitrophenoxy)-2,4-diphenyl-2,5-dihydro-1,5-benzothiazepine CAS Name: 3-(4-nitrophenoxy)-2,4-diphenyl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 3-(4-nitrophenoxy)-2,4-diphenyl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 3-(4-nitrophenoxy)-2,4-diphenyl-2,5-dihydro-1,5-benzothiazepine Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N2O3S/c30-29(31)21-15-17-22(18-16-21)32-26-25(19-9-3-1-4-10-19)28-23-13-7-8-14-24(23)33-27(26)20-11-5-2-6-12-20/h1-18,27-28H