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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H18N2O3S/c1-12-3-5-13(6-4-12)21-10-7-15(19)20-11-14(18)17-9-2-8-16/h3-6H,2,7,9-11H2,1H3,(H,17,18)