2-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-methylanilino)-2-oxo-acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-methylanilino)-1,2-dioxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-methylanilino)-2-oxoacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-keto-2-(p-toluidino)acetyl]amino]-4-(methylthio)butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-9-3-5-10(6-4-9)15-12(17)13(18)16-11(14(19)20)7-8-21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)