[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

Isomeric SMILES

CCC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

InChI

InChI=1S/C13H14N2O3S/c1-2-13(17)18-9-12(16)15-10-5-3-4-6-11(10)19-8-7-14/h3-6H,2,8-9H2,1H3,(H,15,16)