[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=NC2=NN1)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=C2C=C(C=NC2=NN1)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S/c1-14-17-11-15(12-23-21(17)26-25-14)22(28)29-13-20(27)24-18-9-5-6-10-19(18)30-16-7-3-2-4-8-16/h2-12H,13H2,1H3,(H,24,27)(H,23,25,26)