1-[(2R)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2R)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[4-(2-thenyl)piperazino]ethyl]pyrazole-3-carboxylic acid Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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