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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c14-7-4-8-15-12(16)9-18-13(17)10-19-11-5-2-1-3-6-11/h1-3,5-6H,4,8-10H2,(H,15,16)