2-[2-[3-cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-[3-cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[3-cyano-6-(5-methyl-2-furyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[3-cyano-6-(5-methyl-2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[3-cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-cyano-6-(5-methyl-2-furyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetate Formula: C16H11F3N3O4S- MolecularWeight: 398.33645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H12F3N3O4S/c1-8-2-3-12(26-8)11-4-10(16(17,18)19)9(5-20)15(22-11)27-7-13(23)21-6-14(24)25/h2-4H,6-7H2,1H3,(H,21,23)(H,24,25)/p-1