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

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

Isomeric SMILES

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

InChI

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