methyl 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

InChI

InChI=1S/C13H11F3N2O2S/c1-20-11(19)6-21-12-8(5-17)9(13(14,15)16)4-10(18-12)7-2-3-7/h4,7H,2-3,6H2,1H3