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

Systemtic Name: 3-(carboxymethyl)-5-[carboxymethyl(ethyl)amino]-4-cyano-thiophene-2-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-[carboxymethyl(ethyl)amino]-4-cyano-thiophene-2-carboxylic acid CAS Name: 3-(carboxymethyl)-5-[carboxymethyl(ethyl)amino]-4-cyano-2-thiophenecarboxylic acid IUPAC Name: 3-(carboxymethyl)-5-[carboxymethyl(ethyl)amino]-4-cyanothiophene-2-carboxylic acid Traditional Name: 3-(carboxymethyl)-5-[carboxymethyl(ethyl)amino]-4-cyano-2-thenoic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C1=C(C(=C(S1)C(=O)O)CC(=O)O)C#N

Isomeric SMILES

CCN(CC(=O)O)C1=C(C(=C(S1)C(=O)O)CC(=O)O)C#N

InChI

InChI=1S/C12H12N2O6S/c1-2-14(5-9(17)18)11-7(4-13)6(3-8(15)16)10(21-11)12(19)20/h2-3,5H2,1H3,(H,15,16)(H,17,18)(H,19,20)