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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-11(2)17-16(21)18-14(19)10-22-15(20)8-9-23-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,21)