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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (1-methyl-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 [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-15(20(25)23-11-5-6-12-23)27-21(26)17-14-24(16-8-3-2-4-9-16)22-19(17)18-10-7-13-28-18/h2-4,7-10,13-15H,5-6,11-12H2,1H3