3-[6-oxidanylidene-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6-oxidanylidene-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[6-oxo-1-phenyl-4-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[6-keto-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C14H11F3N2O3S MolecularWeight: 344.30895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O3S/c15-14(16,17)10-8-11(20)19(9-4-2-1-3-5-9)13(18-10)23-7-6-12(21)22/h1-5,8H,6-7H2,(H,21,22)