ethyl 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[5-(trifluoromethyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCSC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C11H12F3NO2S/c1-2-17-10(16)5-6-18-9-4-3-8(7-15-9)11(12,13)14/h3-4,7H,2,5-6H2,1H3