(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S/c25-20(23-11-5-2-6-12-23)15-27-21(26)18-14-17(19-10-7-13-28-19)22-24(18)16-8-3-1-4-9-16/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2