methyl 3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylpropanoate CAS Name: 3-[[2-cyano-4-(trifluoromethyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[2-cyano-4-(trifluoromethyl)phenyl]thio]propionic acid methyl ester Formula: C12H10F3NO2S MolecularWeight: 289.27351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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