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

Systemtic Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-2-propyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[5-(1-carboxy-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-propylpyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-2-propyl-pyrazole-3-carboxylic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-3-5-8-17-16(19(20(25)26)24(23-17)13-4-2)14-15-9-10-18(29-15)22(21(27)28)11-6-7-12-22/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,25,26)(H,27,28)