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

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-ethylanilino)-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-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-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-(4-ethylanilino)-2-keto-ethyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=NN3CC)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=NN3CC)C4=CC=CS4

InChI

InChI=1S/C23H22N4O3S/c1-3-15-7-9-16(10-8-15)25-21(28)14-30-23(29)17-12-19(20-6-5-11-31-20)26-22-18(17)13-24-27(22)4-2/h5-13H,3-4,14H2,1-2H3,(H,25,28)