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

Systemtic Name: methyl 4-methylsulfanyl-2-[(phenylmethyl)carbamoylamino]butanoate Openeye Name: methyl 2-(benzylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(benzylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O3S/c1-19-13(17)12(8-9-20-2)16-14(18)15-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,18)