[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H16N2O4S/c1-19-12-8-10(21-2)4-5-11(12)14(18)20-9-13(17)16-7-3-6-15/h4-5,8H,3,7,9H2,1-2H3,(H,16,17)