2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(2-thienylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[4-(2-thenyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CN(N=C3)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CN(N=C3)CC(=O)O

InChI

InChI=1S/C15H18N4O3S/c20-14(21)11-19-9-12(8-16-19)15(22)18-5-3-17(4-6-18)10-13-2-1-7-23-13/h1-2,7-9H,3-6,10-11H2,(H,20,21)