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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4)C

InChI

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