(3,3-dimethyl-2-oxidanylidene-butyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-20(2,3)17(23)13-25-19(24)15-12-22(14-8-5-4-6-9-14)21-18(15)16-10-7-11-26-16/h4-12H,13H2,1-3H3