ethyl 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C14H13F3N2O3S MolecularWeight: 346.32483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O3S/c1-3-22-12(21)5-9(20)7-23-13-10(6-18)11(14(15,16)17)4-8(2)19-13/h4H,3,5,7H2,1-2H3