3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid

Systemtic Name: 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid Openeye Name: 3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid CAS Name: 3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanoic acid IUPAC Name: 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid Traditional Name: 3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropionic acid Formula: C12H9F3N2O4S2 MolecularWeight: 366.33607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=N2)S(=O)(=O)CCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=N2)S(=O)(=O)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O4S2/c13-12(14,15)9-6-7(8-2-1-4-22-8)16-11(17-9)23(20,21)5-3-10(18)19/h1-2,4,6H,3,5H2,(H,18,19)