ethyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-cyano-3-(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=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

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

InChI

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