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

Systemtic Name: [2-(2-methylpropanoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(2-methylpropanoylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[(2-methyl-1-oxopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropanoylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(isobutyrylamino)-2-keto-ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-11(2)16(20)17-14(18)10-21-15(19)8-9-22-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,17,18,20)