2-[carboxymethyl-[2-oxidanylidene-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-oxidanylidene-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-keto-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]amino]acetic acid Formula: C13H14N4O7S2 MolecularWeight: 402.40286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CN(CC(=O)O)CC(=O)O)SC(=N2)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CN(CC(=O)O)CC(=O)O)SC(=N2)S(=O)(=O)N

InChI

InChI=1S/C13H14N4O7S2/c14-26(23,24)13-16-8-2-1-7(3-9(8)25-13)15-10(18)4-17(5-11(19)20)6-12(21)22/h1-3H,4-6H2,(H,15,18)(H,19,20)(H,21,22)(H2,14,23,24)