methyl 2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-(m-tolylcarbamoylamino)butanoate CAS Name: 2-[[(3-methylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-tolylcarbamoylamino)butyric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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