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

Systemtic Name: (2-oxidanylidenecyclohexyl) 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-oxocyclohexyl) 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 (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 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-ketocyclohexyl) ester Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC4CCCCC4=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC4CCCCC4=O)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c1-15-22-17(24(29)30-20-11-6-5-10-19(20)28)14-18(21-12-7-13-31-21)25-23(22)27(26-15)16-8-3-2-4-9-16/h2-4,7-9,12-14,20H,5-6,10-11H2,1H3