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

Systemtic Name: 2,5-dibutyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]pyrazole-3-carboxylic acid Openeye Name: 2,5-dibutyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]pyrazole-3-carboxylic acid CAS Name: 2,5-dibutyl-4-[[5-(1-carboxy-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 2,5-dibutyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]pyrazole-3-carboxylic acid Traditional Name: 2,5-dibutyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]pyrazole-3-carboxylic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-3-5-9-18-17(20(21(26)27)25(24-18)14-6-4-2)15-16-10-11-19(30-16)23(22(28)29)12-7-8-13-23/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H,26,27)(H,28,29)