(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S/c24-18(22-10-4-5-11-22)14-26-20(25)16-13-23(15-7-2-1-3-8-15)21-19(16)17-9-6-12-27-17/h1-3,6-9,12-13H,4-5,10-11,14H2