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

Systemtic Name: cyclohexylmethyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: cyclohexylmethyl 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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 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 cyclohexylmethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC4CCCCC4)C5CCS(=O)(=O)C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC4CCCCC4)C5CCS(=O)(=O)C5

InChI

InChI=1S/C22H29N3O4S/c1-14-20-18(22(26)29-12-15-5-3-2-4-6-15)11-19(16-7-8-16)23-21(20)25(24-14)17-9-10-30(27,28)13-17/h11,15-17H,2-10,12-13H2,1H3