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

Systemtic Name: methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-phenyl-6-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 1-(1,1-dioxothiolan-3-yl)-6-isopropyl-3-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-phenyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,1-dioxothiolan-3-yl)-3-phenyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(1,1-diketothiolan-3-yl)-6-isopropyl-3-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=C1)C(=O)OC)C(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=C(C(=C1)C(=O)OC)C(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-13(2)17-11-16(21(25)28-3)18-19(14-7-5-4-6-8-14)23-24(20(18)22-17)15-9-10-29(26,27)12-15/h4-8,11,13,15H,9-10,12H2,1-3H3