[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

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