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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methoxyethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-18-9-13(17)19-8-12(16)15-10-4-2-3-5-11(10)20-7-6-14/h2-5H,7-9H2,1H3,(H,15,16)