2-[[4-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4-oxo-6-(trifluoromethyl)hexahydropyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-oxo-6-(trifluoromethyl)-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[4-oxo-6-(trifluoromethyl)-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-6-(trifluoromethyl)hexahydropyrimidin-2-yl]thio]acetic acid Formula: C7H9F3N2O3S MolecularWeight: 258.21817

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1=O)SCC(=O)O)C(F)(F)F

Isomeric SMILES

C1C(NC(NC1=O)SCC(=O)O)C(F)(F)F

InChI

InChI=1S/C7H9F3N2O3S/c8-7(9,10)3-1-4(13)12-6(11-3)16-2-5(14)15/h3,6,11H,1-2H2,(H,12,13)(H,14,15)