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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 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-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 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-2-(methylcarbamoylamino)ethyl] ester Formula: C22H19N5O4S MolecularWeight: 449.48236

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)NC(=O)NC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4S/c1-13-19-15(21(29)31-12-18(28)25-22(30)23-2)11-16(17-9-6-10-32-17)24-20(19)27(26-13)14-7-4-3-5-8-14/h3-11H,12H2,1-2H3,(H2,23,25,28,30)