[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCSC2=CC=C(C=C2)F

InChI

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