4-(2,4-dichlorophenyl)-9-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(2,4-dichlorophenyl)-9-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-(2,4-dichlorophenyl)-9-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 4-(2,4-dichlorophenyl)-9-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 4-(2,4-dichlorophenyl)-9-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-(2,4-dichlorophenyl)-9-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Formula: C22H16Cl2N2O3S MolecularWeight: 459.34504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1SC(CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C1SC(CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16Cl2N2O3S/c1-29-20-4-2-3-18-22(20)30-21(13-5-8-15(9-6-13)26(27)28)12-19(25-18)16-10-7-14(23)11-17(16)24/h2-11,21H,12H2,1H3