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

Systemtic Name: 5-butyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)-2-thienyl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[5-(1-ethoxycarbonyl-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-2-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[[5-(1-carbethoxycyclopent-3-en-1-yl)-2-thienyl]methyl]-2-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C22H25F3N2O4S MolecularWeight: 470.50511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O4S/c1-3-5-8-16-15(18(19(28)29)27(26-16)22(23,24)25)13-14-9-10-17(32-14)21(11-6-7-12-21)20(30)31-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,28,29)