methyl 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoate CAS Name: 3-[[4-cyano-3-(trifluoromethyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[4-cyano-3-(trifluoromethyl)phenyl]thio]propionic acid methyl ester Formula: C12H10F3NO2S MolecularWeight: 289.27351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

COC(=O)CCSC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C12H10F3NO2S/c1-18-11(17)4-5-19-9-3-2-8(7-16)10(6-9)12(13,14)15/h2-3,6H,4-5H2,1H3