2-(carboxycarbonylamino)-5-[[(4-oxidanylidenechromen-2-yl)carbonylamino]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-5-[[(4-oxidanylidenechromen-2-yl)carbonylamino]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 2-(oxaloamino)-5-[[(4-oxochromene-2-carbonyl)amino]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-(oxaloamino)-5-[[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 2-(oxaloamino)-5-[[(4-oxochromene-2-carbonyl)amino]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 5-[[(4-ketochromene-2-carbonyl)amino]methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C21H16N2O9S MolecularWeight: 472.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CNC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CNC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H16N2O9S/c24-12-6-14(32-13-4-2-1-3-10(12)13)17(25)22-7-9-5-11-15(8-31-9)33-19(16(11)20(27)28)23-18(26)21(29)30/h1-4,6,9H,5,7-8H2,(H,22,25)(H,23,26)(H,27,28)(H,29,30)