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

Systemtic Name: 2-oxidanylidenepropyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: acetonyl 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 2-oxopropyl ester IUPAC Name: 2-oxopropyl 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 acetonyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)C)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)C)C4CCS(=O)(=O)C4

InChI

InChI=1S/C18H21N3O5S/c1-10(22)8-26-18(23)14-7-15(12-3-4-12)19-17-16(14)11(2)20-21(17)13-5-6-27(24,25)9-13/h7,12-13H,3-6,8-9H2,1-2H3