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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(phenylmethyl)-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-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C27H20N4O4S MolecularWeight: 496.5371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCC(=O)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCC(=O)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H20N4O4S/c32-24(30-26(33)23-12-7-13-36-23)17-35-27(34)20-14-22(19-10-5-2-6-11-19)29-25-21(20)15-28-31(25)16-18-8-3-1-4-9-18/h1-15H,16-17H2,(H,30,32,33)