[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-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-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-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-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C23H22N4O4S/c1-4-27-22-16(12-24-27)15(11-18(26-22)20-6-5-9-32-20)23(29)31-13-21(28)25-17-10-14(2)7-8-19(17)30-3/h5-12H,4,13H2,1-3H3,(H,25,28)