(3aR,6S,6aS)-2-oxidanylidene-6-(5-oxidanyl-5-oxidanylidene-pentyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid

Systemtic Name: (3aR,6S,6aS)-2-oxidanylidene-6-(5-oxidanyl-5-oxidanylidene-pentyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid Openeye Name: (3aR,6S,6aS)-6-(5-hydroxy-5-oxo-pentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid CAS Name: (3aR,6S,6aS)-6-(5-hydroxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid IUPAC Name: (3aR,6S,6aS)-6-(5-hydroxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid Traditional Name: (3aR,6S,6aS)-6-(5-hydroxy-5-keto-pentyl)-2-keto-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazole-3-carboxylic acid Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2C(=O)O

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2C(=O)O

InChI

InChI=1S/C11H16N2O5S/c14-8(15)4-2-1-3-7-9-6(5-19-7)13(11(17)18)10(16)12-9/h6-7,9H,1-5H2,(H,12,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1