[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H13FN2O3S MolecularWeight: 296.317323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O3S/c14-10-4-1-2-5-11(10)20-9-13(18)19-8-12(17)16-7-3-6-15/h1-2,4-5H,3,7-9H2,(H,16,17)