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

Systemtic Name: 5-butyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)-2-thienyl]methyl]-2-propyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[5-(1-ethoxycarbonyl-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-propylpyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[[5-(1-carbethoxycyclopent-3-en-1-yl)-2-thienyl]methyl]-2-propyl-pyrazole-3-carboxylic acid Formula: C24H32N2O4S MolecularWeight: 444.58688

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-4-7-10-19-18(21(22(27)28)26(25-19)15-5-2)16-17-11-12-20(31-17)24(13-8-9-14-24)23(29)30-6-3/h8-9,11-12H,4-7,10,13-16H2,1-3H3,(H,27,28)