methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-(1,1-dioxo-3-thiolanyl)-3-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-(1,1-diketothiolan-3-yl)-3-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H21N3O4S/c1-28-21(25)16-11-17(13-7-8-13)22-20-18(16)19(14-5-3-2-4-6-14)23-24(20)15-9-10-29(26,27)12-15/h2-6,11,13,15H,7-10,12H2,1H3