[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

InChI

InChI=1S/C23H22N4O3S/c1-14(2)27-22-18(12-24-27)17(11-19(26-22)20-5-4-10-31-20)23(29)30-13-21(28)25-16-8-6-15(3)7-9-16/h4-12,14H,13H2,1-3H3,(H,25,28)