2-[3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(2-thenoyl)piperazino]propyl]pyrazole-3-carboxylic acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=CC=N2)C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=CC=N2)C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H18N4O4S/c21-14(4-6-20-12(16(23)24)3-5-17-20)18-7-9-19(10-8-18)15(22)13-2-1-11-25-13/h1-3,5,11H,4,6-10H2,(H,23,24)