4-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid Formula: C14H11F3N2O4S MolecularWeight: 360.30835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O4S/c15-14(16,17)10-7-11(20)19-13(18-10)24-6-5-23-9-3-1-8(2-4-9)12(21)22/h1-4,7H,5-6H2,(H,21,22)(H,18,19,20)