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

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]oxycarbonyl-4-cyano-thiophen-3-yl]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]oxycarbonyl-4-cyano-3-thienyl]acetic acid CAS Name: 2-[2-[[bis(carboxymethyl)amino]oxy-oxomethyl]-4-cyano-3-thiophenyl]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]oxycarbonyl-4-cyanothiophen-3-yl]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]oxycarbonyl-4-cyano-3-thienyl]acetic acid Formula: C12H10N2O8S MolecularWeight: 342.2814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O8S/c13-2-6-5-23-11(7(6)1-8(15)16)12(21)22-14(3-9(17)18)4-10(19)20/h5H,1,3-4H2,(H,15,16)(H,17,18)(H,19,20)