5-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-2-oxidanyl-benzoate Openeye Name: 5-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-2-hydroxy-benzoate Formula: C17H11F3N3O4S- MolecularWeight: 410.34715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C17H12F3N3O4S/c1-8-4-12(17(18,19)20)11(6-21)15(22-8)28-7-14(25)23-9-2-3-13(24)10(5-9)16(26)27/h2-5,24H,7H2,1H3,(H,23,25)(H,26,27)/p-1