5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[5-(1-carboxy-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-2-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(S2)C3(CC=CC3)C(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(S2)C3(CC=CC3)C(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c1-2-3-6-14-13(16(17(26)27)25(24-14)20(21,22)23)11-12-7-8-15(30-12)19(18(28)29)9-4-5-10-19/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,26,27)(H,28,29)