[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H23N3O3S/c1-3-15(4-2)22-20(25)14-27-21(26)18-13-17(19-11-8-12-28-19)23-24(18)16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3,(H,22,25)