methyl 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate

Systemtic Name: methyl 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Openeye Name: methyl 4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: 4-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: 4-[[5-(trifluoromethyl)-2-pyridyl]thio]butyric acid methyl ester Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCCSC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C11H12F3NO2S/c1-17-10(16)3-2-6-18-9-5-4-8(7-15-9)11(12,13)14/h4-5,7H,2-3,6H2,1H3