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

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(5-chloro-2-methoxy-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-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-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-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O4S/c1-3-27-21-15(11-24-27)14(10-17(26-21)19-5-4-8-32-19)22(29)31-12-20(28)25-16-9-13(23)6-7-18(16)30-2/h4-11H,3,12H2,1-2H3,(H,25,28)