ethyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester Formula: C12H10F3NO2S MolecularWeight: 289.27351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)C#N

InChI

InChI=1S/C12H10F3NO2S/c1-2-18-11(17)7-19-10-4-3-9(12(13,14)15)5-8(10)6-16/h3-5H,2,7H2,1H3