[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C16H20N2O4S/c1-3-9-17-16(21)18-14(19)11-22-15(20)8-10-23-13-6-4-12(2)5-7-13/h3-7H,1,8-11H2,2H3,(H2,17,18,19,21)