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

Systemtic Name: (2S)-2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: (2S)-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: (2S)-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: (2S)-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: (2S)-2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propionic acid Formula: C8H7F3N2O3S MolecularWeight: 268.21299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C=C(N1)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=O)C=C(N1)C(F)(F)F

InChI

InChI=1S/C8H7F3N2O3S/c1-3(6(15)16)17-7-12-4(8(9,10)11)2-5(14)13-7/h2-3H,1H3,(H,15,16)(H,12,13,14)/t3-/m0/s1