methyl 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate Openeye Name: methyl 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate CAS Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(3-nitrophenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate Traditional Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(3-nitrophenyl)benzoic acid methyl ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO4S/c1-27-21(24)20-18(14-4-3-5-17(10-14)23(25)26)11-15(12-19(20)28-2)13-6-8-16(22)9-7-13/h3-12H,1-2H3