[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c27-22(24-15-19-12-7-13-30-19)16-29-23(28)21-14-20(17-8-3-1-4-9-17)25-26(21)18-10-5-2-6-11-18/h1-14H,15-16H2,(H,24,27)