methyl 4-methylsulfanyl-2-[(4-nitro-2-phenyl-phenyl)amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-nitro-2-phenyl-phenyl)amino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-(4-nitro-2-phenyl-anilino)butanoate CAS Name: 4-(methylthio)-2-(4-nitro-2-phenylanilino)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(4-nitro-2-phenylanilino)butanoate Traditional Name: 4-(methylthio)-2-(4-nitro-2-phenyl-anilino)butyric acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-24-18(21)17(10-11-25-2)19-16-9-8-14(20(22)23)12-15(16)13-6-4-3-5-7-13/h3-9,12,17,19H,10-11H2,1-2H3