2-methyl-4-(2-methylsulfinyl-1-oxidanidyl-pyridin-1-ium-3-yl)-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid

Systemtic Name: 2-methyl-4-(2-methylsulfinyl-1-oxidanidyl-pyridin-1-ium-3-yl)-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid Openeye Name: 2-methyl-4-(2-methylsulfinyl-1-oxido-pyridin-1-ium-3-yl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid CAS Name: 2-methyl-4-(2-methylsulfinyl-1-oxido-3-pyridin-1-iumyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid IUPAC Name: 2-methyl-4-(2-methylsulfinyl-1-oxidopyridin-1-ium-3-yl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid Traditional Name: 5-keto-2-methyl-4-(2-methylsulfinyl-1-oxido-pyridin-1-ium-3-yl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)COC2=O)C3=C([N+](=CC=C3)[O-])S(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(C2=C(N1)COC2=O)C3=C([N+](=CC=C3)[O-])S(=O)C)C(=O)O

InChI

InChI=1S/C15H14N2O6S/c1-7-10(14(18)19)11(12-9(16-7)6-23-15(12)20)8-4-3-5-17(21)13(8)24(2)22/h3-5,11,16H,6H2,1-2H3,(H,18,19)