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

Systemtic Name: 2-[2-[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetate Formula: C18H13F3N3O4S- MolecularWeight: 424.37373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C18H14F3N3O4S/c1-28-11-4-2-3-10(5-11)14-6-13(18(19,20)21)12(7-22)17(24-14)29-9-15(25)23-8-16(26)27/h2-6H,8-9H2,1H3,(H,23,25)(H,26,27)/p-1