5-[bis(2-oxidanyl-2-oxidanylidene-ethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid

Systemtic Name: 5-[bis(2-oxidanyl-2-oxidanylidene-ethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid Openeye Name: 5-[bis(2-hydroxy-2-oxo-ethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid CAS Name: 5-[bis(2-hydroxy-2-oxoethyl)amino]-3-(carboxymethyl)-4-cyano-2-thiophenecarboxylic acid IUPAC Name: 5-[bis(2-hydroxy-2-oxoethyl)amino]-3-(carboxymethyl)-4-cyanothiophene-2-carboxylic acid Traditional Name: 5-[bis(2-hydroxy-2-keto-ethyl)amino]-3-(carboxymethyl)-4-cyano-2-thenoic acid Formula: C12H10N2O8S MolecularWeight: 346.252019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C(C1=C(SC(=C1C#N)N([13CH2][13C](=O)O)[13CH2][13C](=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/i3+1,4+1,8+1,9+1