(2-oxidanylidene-2-thiophen-2-yl-ethyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-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=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

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