2-[carboxymethyl-[3-(5-sulfanyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-(5-sulfanyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-(5-sulfanyl-2-thioxo-1H-imidazol-3-yl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-(5-mercapto-2-sulfanylidene-1H-imidazol-3-yl)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-(5-sulfanyl-2-sulfanylidene-1H-imidazol-3-yl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-(4-mercapto-2-thioxo-4-imidazolin-1-yl)anilino]acetic acid Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)N2C=C(NC2=S)S

Isomeric SMILES

C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)N2C=C(NC2=S)S

InChI

InChI=1S/C13H13N3O4S2/c17-11(18)6-15(7-12(19)20)8-2-1-3-9(4-8)16-5-10(21)14-13(16)22/h1-5,21H,6-7H2,(H,14,22)(H,17,18)(H,19,20)