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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-methylanilino)-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-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-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-keto-2-(p-toluidino)ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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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)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-13-6-8-15(9-7-13)23-19(27)12-29-22(28)16-11-17(18-5-4-10-30-18)24-21-20(16)14(2)25-26(21)3/h4-11H,12H2,1-3H3,(H,23,27)