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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-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-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 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-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H18N4O3S/c1-2-25-20-15(12-23-25)14(11-16(24-20)17-9-6-10-29-17)21(27)28-18(19(22)26)13-7-4-3-5-8-13/h3-12,18H,2H2,1H3,(H2,22,26)