[(1R)-1-cyanoethyl] 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C13H13FN2O3S MolecularWeight: 296.317323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CSCC(=O)NC1=CC=C(C=C1)F

Isomeric SMILES

C[C@H](C#N)OC(=O)CSCC(=O)NC1=CC=C(C=C1)F

InChI

InChI=1S/C13H13FN2O3S/c1-9(6-15)19-13(18)8-20-7-12(17)16-11-4-2-10(14)3-5-11/h2-5,9H,7-8H2,1H3,(H,16,17)/t9-/m1/s1