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

Systemtic Name: (2-cyanophenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2-cyanophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (2-cyanobenzyl) ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1C#N)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1C#N)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C19H17FN2O3S/c1-13(19(24)25-11-15-5-3-2-4-14(15)10-21)26-12-18(23)22-17-8-6-16(20)7-9-17/h2-9,13H,11-12H2,1H3,(H,22,23)