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

Systemtic Name: methyl 4-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C13H11F3N2O3S MolecularWeight: 332.29825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)CC(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)CC(=O)OC

InChI

InChI=1S/C13H11F3N2O3S/c1-7-3-10(13(14,15)16)9(5-17)12(18-7)22-6-8(19)4-11(20)21-2/h3H,4,6H2,1-2H3