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

Systemtic Name: 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-2,5-dihydro-1,5-benzothiazepine Formula: C28H21ClN2O4S MolecularWeight: 516.99534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)Cl)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)Cl)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21ClN2O4S/c1-34-22-14-8-19(9-15-22)28-27(35-23-16-12-21(13-17-23)31(32)33)26(18-6-10-20(29)11-7-18)30-24-4-2-3-5-25(24)36-28/h2-17,28,30H,1H3