2-(carboxycarbonylamino)-7-(hydroxymethyl)-3aH-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-7-(hydroxymethyl)-3aH-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 7-(hydroxymethyl)-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 7-(hydroxymethyl)-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 7-(hydroxymethyl)-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 7-methylol-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid Formula: C11H9NO7S MolecularWeight: 299.25666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C2C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CO

Isomeric SMILES

C1=COC(=C2C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CO

InChI

InChI=1S/C11H9NO7S/c13-3-5-7-4(1-2-19-5)6(10(15)16)9(20-7)12-8(14)11(17)18/h1-2,4,13H,3H2,(H,12,14)(H,15,16)(H,17,18)