methyl 3-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC=CC=C1SCC#N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC=CC=C1SCC#N

InChI

InChI=1S/C14H16N2O3S2/c1-19-14(18)6-8-20-10-13(17)16-11-4-2-3-5-12(11)21-9-7-15/h2-5H,6,8-10H2,1H3,(H,16,17)