1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-thenyl)piperazino]ethyl]pyrazole-3-carboxylate Formula: C15H17N4O3S- MolecularWeight: 333.38548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CN3C=CC(=N3)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CN3C=CC(=N3)C(=O)[O-]

InChI

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