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

Systemtic Name: 2,5-dibutyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]pyrazole-3-carboxylic acid Openeye Name: 2,5-dibutyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)-2-thienyl]methyl]pyrazole-3-carboxylic acid CAS Name: 2,5-dibutyl-4-[[5-(1-ethoxycarbonyl-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 2,5-dibutyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]pyrazole-3-carboxylic acid Traditional Name: 2,5-dibutyl-4-[[5-(1-carbethoxycyclopent-3-en-1-yl)-2-thienyl]methyl]pyrazole-3-carboxylic acid Formula: C25H34N2O4S MolecularWeight: 458.61346

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4S/c1-4-7-11-20-19(22(23(28)29)27(26-20)16-8-5-2)17-18-12-13-21(32-18)25(14-9-10-15-25)24(30)31-6-3/h9-10,12-13H,4-8,11,14-17H2,1-3H3,(H,28,29)