cyanomethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: cyanomethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: cyanomethyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid cyanomethyl ester Formula: C13H13FN2O3S MolecularWeight: 296.317323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC#N)SCC(=O)NC1=CC=C(C=C1)F

Isomeric SMILES

CC(C(=O)OCC#N)SCC(=O)NC1=CC=C(C=C1)F

InChI

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