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

Systemtic Name: phenacyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: phenacyl 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-(1,1-dioxo-3-thiolanyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-(1,1-diketothiolan-3-yl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid phenacyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)C4=CC=CC=C4)C5CCS(=O)(=O)C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)C4=CC=CC=C4)C5CCS(=O)(=O)C5

InChI

InChI=1S/C23H23N3O5S/c1-14-21-18(23(28)31-12-20(27)16-5-3-2-4-6-16)11-19(15-7-8-15)24-22(21)26(25-14)17-9-10-32(29,30)13-17/h2-6,11,15,17H,7-10,12-13H2,1H3