(3,3-dimethyl-2-oxidanylidene-butyl) 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H23N3O3S MolecularWeight: 433.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S/c1-15-21-17(23(29)30-14-20(28)24(2,3)4)13-18(19-11-8-12-31-19)25-22(21)27(26-15)16-9-6-5-7-10-16/h5-13H,14H2,1-4H3