6-(2,2-dimethylpropyl)-4-oxidanyl-7-oxidanylidene-6,7a-dihydrothieno[3,2-c]pyridine-5-carboxylate

Systemtic Name: 6-(2,2-dimethylpropyl)-4-oxidanyl-7-oxidanylidene-6,7a-dihydrothieno[3,2-c]pyridine-5-carboxylate Openeye Name: 6-(2,2-dimethylpropyl)-4-hydroxy-7-oxo-6,7a-dihydrothieno[3,2-c]pyridine-5-carboxylate CAS Name: 6-(2,2-dimethylpropyl)-4-hydroxy-7-oxo-6,7a-dihydrothieno[3,2-c]pyridine-5-carboxylate IUPAC Name: 6-(2,2-dimethylpropyl)-4-hydroxy-7-oxo-6,7a-dihydrothieno[3,2-c]pyridine-5-carboxylate Traditional Name: 4-hydroxy-7-keto-6-neopentyl-6,7a-dihydrothieno[3,2-c]pyridine-5-carboxylate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1C(=O)C2C(=C(N1C(=O)[O-])O)C=CS2

Isomeric SMILES

CC(C)(C)CC1C(=O)C2C(=C(N1C(=O)[O-])O)C=CS2

InChI

InChI=1S/C13H17NO4S/c1-13(2,3)6-8-9(15)10-7(4-5-19-10)11(16)14(8)12(17)18/h4-5,8,10,16H,6H2,1-3H3,(H,17,18)/p-1