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

Systemtic Name: methyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]acetic acid methyl ester Formula: C11H8F3NO2S MolecularWeight: 275.24693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3NO2S/c1-17-10(16)6-18-8-3-2-7(5-15)9(4-8)11(12,13)14/h2-4H,6H2,1H3