[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c15-8-4-9-16-13(17)11-19-14(18)7-10-20-12-5-2-1-3-6-12/h1-3,5-6H,4,7,9-11H2,(H,16,17)