2-[5-[bis(carboxymethyl)amino]-2-carboxyoxy-4-cyano-thiophen-3-yl]ethanoic acid

Systemtic Name: 2-[5-[bis(carboxymethyl)amino]-2-carboxyoxy-4-cyano-thiophen-3-yl]ethanoic acid Openeye Name: 2-[5-[bis(carboxymethyl)amino]-2-carboxyoxy-4-cyano-3-thienyl]acetic acid CAS Name: 2-[5-[bis(carboxymethyl)amino]-2-carboxyoxy-4-cyano-3-thiophenyl]acetic acid IUPAC Name: 2-[5-[bis(carboxymethyl)amino]-2-carboxyoxy-4-cyanothiophen-3-yl]acetic acid Traditional Name: 2-[5-[bis(carboxymethyl)amino]-2-carboxyoxy-4-cyano-3-thienyl]acetic acid Formula: C12H10N2O9S MolecularWeight: 358.2808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O9S/c13-2-6-5(1-7(15)16)11(23-12(21)22)24-10(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)