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

Systemtic Name: ethyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=NN2C3CCS(=O)(=O)C3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=NN2C3CCS(=O)(=O)C3)C)C4CC4

InChI

InChI=1S/C17H21N3O4S/c1-3-24-17(21)13-8-14(11-4-5-11)18-16-15(13)10(2)19-20(16)12-6-7-25(22,23)9-12/h8,11-12H,3-7,9H2,1-2H3