[2-(butylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-2-3-11-21-18(24)14-26-20(25)16-13-23(15-8-5-4-6-9-15)22-19(16)17-10-7-12-27-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,24)