5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiolane-2-carboxylic acid

Systemtic Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiolane-2-carboxylic acid Openeye Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-tetrahydrothiophene-2-carboxylic acid CAS Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-2-thiolanecarboxylic acid IUPAC Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyanothiolane-2-carboxylic acid Traditional Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-tetrahydrothiophene-2-carboxylic acid Formula: C12H14N2O8S MolecularWeight: 346.31316

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(SC1C(=O)O)N(CC(=O)O)CC(=O)O)C#N)C(=O)O

Isomeric SMILES

C(C1C(C(SC1C(=O)O)N(CC(=O)O)CC(=O)O)C#N)C(=O)O

InChI

InChI=1S/C12H14N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h5-6,10-11H,1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)