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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C16H14N3O4S2- MolecularWeight: 376.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)[O-])C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)[O-])[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C16H15N3O4S2/c1-9-14-11(16(20)21)7-12(13-3-2-5-24-13)17-15(14)19(18-9)10-4-6-25(22,23)8-10/h2-3,5,7,10H,4,6,8H2,1H3,(H,20,21)/p-1/t10-/m0/s1