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

Systemtic Name: methyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]-3-keto-butyric acid methyl ester Formula: C16H11F3N2O3S2 MolecularWeight: 400.39535

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

Isomeric SMILES

COC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

InChI

InChI=1S/C16H11F3N2O3S2/c1-24-14(23)5-9(22)8-26-15-10(7-20)11(16(17,18)19)6-12(21-15)13-3-2-4-25-13/h2-4,6H,5,8H2,1H3