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

Systemtic Name: methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-propan-2-yl-3-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 1-(1,1-dioxothiolan-3-yl)-6-isopropyl-3-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-(1,1-dioxo-3-thiolanyl)-6-propan-2-yl-3-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,1-dioxothiolan-3-yl)-6-propan-2-yl-3-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(1,1-diketothiolan-3-yl)-6-isopropyl-3-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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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=CS4

Isomeric SMILES

CC(C)C1=NC2=C(C(=C1)C(=O)OC)C(=NN2C3CCS(=O)(=O)C3)C4=CC=CS4

InChI

InChI=1S/C19H21N3O4S2/c1-11(2)14-9-13(19(23)26-3)16-17(15-5-4-7-27-15)21-22(18(16)20-14)12-6-8-28(24,25)10-12/h4-5,7,9,11-12H,6,8,10H2,1-3H3