methyl 4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoate Openeye Name: methyl 2-(allylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[oxo-(prop-2-enylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoate Traditional Name: 2-(allylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C10H18N2O3S MolecularWeight: 246.32652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC=C

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC=C

InChI

InChI=1S/C10H18N2O3S/c1-4-6-11-10(14)12-8(5-7-16-3)9(13)15-2/h4,8H,1,5-7H2,2-3H3,(H2,11,12,14)