methyl 2-[3-cyano-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-5-(2-thenoyl)-6-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C15H9F3N2O3S2 MolecularWeight: 386.36877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C2=CC=CS2)C(F)(F)F

Isomeric SMILES

COC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C2=CC=CS2)C(F)(F)F

InChI

InChI=1S/C15H9F3N2O3S2/c1-23-11(21)7-25-14-8(6-19)5-9(13(20-14)15(16,17)18)12(22)10-3-2-4-24-10/h2-5H,7H2,1H3