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

Systemtic Name: propyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-3-7-25-18(22)14-9-15(12-4-5-12)19-17-16(14)11(2)20-21(17)13-6-8-26(23,24)10-13/h9,12-13H,3-8,10H2,1-2H3