4-oxidanyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pentanoic acid

Systemtic Name: 4-oxidanyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pentanoic acid Openeye Name: 4-hydroxy-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pentanoic acid CAS Name: 4-hydroxy-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]pentanoic acid IUPAC Name: 4-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpentanoic acid Traditional Name: 4-hydroxy-2-[[5-(trifluoromethyl)-2-pyridyl]thio]valeric acid Formula: C11H12F3NO3S MolecularWeight: 295.27809

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)SC1=NC=C(C=C1)C(F)(F)F)O

Isomeric SMILES

CC(CC(C(=O)O)SC1=NC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C11H12F3NO3S/c1-6(16)4-8(10(17)18)19-9-3-2-7(5-15-9)11(12,13)14/h2-3,5-6,8,16H,4H2,1H3,(H,17,18)