[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OC(C)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OC(C)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H22N4O4S/c1-13(2)26-20-17(12-24-26)16(10-18(25-20)19-7-4-8-29-19)22(28)30-14(3)21(27)23-11-15-6-5-9-31-15/h4-10,12-14H,11H2,1-3H3,(H,23,27)