methyl 2-[(4-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-(p-tolylcarbamoylamino)butanoate CAS Name: 2-[[(4-methylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(p-tolylcarbamoylamino)butyric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-10-4-6-11(7-5-10)15-14(18)16-12(8-9-20-3)13(17)19-2/h4-7,12H,8-9H2,1-3H3,(H2,15,16,18)