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

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C28H21N3O6S MolecularWeight: 527.54784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(SC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O6S/c1-36-22-14-8-18(9-15-22)26-27(37-23-16-12-21(13-17-23)31(34)35)28(19-6-10-20(11-7-19)30(32)33)38-25-5-3-2-4-24(25)29-26/h2-17,28-29H,1H3