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

Systemtic Name: methyl 2-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S2/c1-18-13(17)9-19-8-12(16)15-10-4-2-3-5-11(10)20-7-6-14/h2-5H,7-9H2,1H3,(H,15,16)