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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N4O4S/c1-2-26-20-16(12-23-26)15(11-17(24-20)14-7-4-3-5-8-14)22(29)30-13-19(27)25-21(28)18-9-6-10-31-18/h3-12H,2,13H2,1H3,(H,25,27,28)