1-methyl-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-(2-thenoyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C15H16N4O4S/c1-17-12(10(9-16-17)15(22)23)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-24-11/h2-3,8-9H,4-7H2,1H3,(H,22,23)