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

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-nitro-2-(o-tolyl)benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-nitrophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-nitrobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[4-nitro-2-(o-tolyl)benzoyl]amino]butyric acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-13-6-4-5-7-15(13)17-12-14(22(25)26)8-9-16(17)19(23)21-18(10-11-28-3)20(24)27-2/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)