ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C15H17F3N2O2S MolecularWeight: 346.36789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N

InChI

InChI=1S/C15H17F3N2O2S/c1-5-22-12(21)8-23-13-9(7-19)10(15(16,17)18)6-11(20-13)14(2,3)4/h6H,5,8H2,1-4H3