diethyl 2-[[[2-(2-cyanoethylsulfanyl)phenyl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[2-(2-cyanoethylsulfanyl)phenyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[2-(2-cyanoethylsulfanyl)anilino]methylene]propanedioate CAS Name: 2-[[2-(2-cyanoethylthio)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(2-cyanoethylsulfanyl)anilino]methylidene]propanedioate Traditional Name: 2-[[2-(2-cyanoethylthio)anilino]methylene]malonic acid diethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1SCCC#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC=CC=C1SCCC#N)C(=O)OCC

InChI

InChI=1S/C17H20N2O4S/c1-3-22-16(20)13(17(21)23-4-2)12-19-14-8-5-6-9-15(14)24-11-7-10-18/h5-6,8-9,12,19H,3-4,7,11H2,1-2H3