[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-2-26-21-17(13-24-26)16(11-18(25-21)19-9-6-10-30-19)22(28)29-14-20(27)23-12-15-7-4-3-5-8-15/h3-11,13H,2,12,14H2,1H3,(H,23,27)