[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H16N2O3S/c1-2-20-12-7-4-3-6-11(12)14(18)19-10-13(17)16-9-5-8-15/h3-4,6-7H,2,5,9-10H2,1H3,(H,16,17)