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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-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 [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 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-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC(C)C(=O)NC4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC(C)C(=O)NC4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C23H19N5O3S/c1-13-20-17(11-18(19-8-5-9-32-19)26-21(20)28(3)27-13)23(30)31-14(2)22(29)25-16-7-4-6-15(10-16)12-24/h4-11,14H,1-3H3,(H,25,29)