(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O3S/c25-20(21-12-7-13-28-21)15-27-22(26)19-14-18(16-8-3-1-4-9-16)23-24(19)17-10-5-2-6-11-17/h1-14H,15H2