2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethylamino]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethylamino]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethylamino]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethylamino]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethylamino]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethylamino]acetic acid Formula: C11H13N3O4S2 MolecularWeight: 315.36862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)NCCNCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)NCCNCC(=O)O

InChI

InChI=1S/C11H13N3O4S2/c15-10(16)7-12-5-6-13-20(17,18)11-14-8-3-1-2-4-9(8)19-11/h1-4,12-13H,5-7H2,(H,15,16)