7-aminocarbonyl-2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 7-aminocarbonyl-2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 7-carbamoyl-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 7-carbamoyl-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 7-carbamoyl-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 7-carbamoyl-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Formula: C11H11N3O6S MolecularWeight: 313.28654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1CNC(C2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C11H11N3O6S/c12-7(15)5-6-3(1-2-13-5)4(10(17)18)9(21-6)14-8(16)11(19)20/h5,13H,1-2H2,(H2,12,15)(H,14,16)(H,17,18)(H,19,20)