1-[(2R)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[4-(2-thenyl)piperazino]ethyl]pyrazole-4-carboxylate Formula: C16H19N4O3S- MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CS2)N3C=C(C=N3)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC=CS2)N3C=C(C=N3)C(=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-12(20-10-13(9-17-20)16(22)23)15(21)19-6-4-18(5-7-19)11-14-3-2-8-24-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,22,23)/p-1/t12-/m1/s1