methyl 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate

Systemtic Name: methyl 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate Openeye Name: methyl 3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate CAS Name: 3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate Traditional Name: 3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropionic acid methyl ester Formula: C13H11F3N2O4S2 MolecularWeight: 380.36265

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2

InChI

InChI=1S/C13H11F3N2O4S2/c1-22-11(19)4-6-24(20,21)12-17-8(9-3-2-5-23-9)7-10(18-12)13(14,15)16/h2-3,5,7H,4,6H2,1H3