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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (2-oxo-2-ureido-ethyl) 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-keto-2-ureido-ethyl) ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-9-2-4-10(5-3-9)20-7-6-12(17)19-8-11(16)15-13(14)18/h2-5H,6-8H2,1H3,(H3,14,15,16,18)