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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-11-16-14(18(22)23)9-15(12-5-3-2-4-6-12)19-17(16)21(20-11)13-7-8-26(24,25)10-13/h2-6,9,13H,7-8,10H2,1H3,(H,22,23)/p-1/t13-/m0/s1