3-sulfanyl-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-sulfanyl-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-sulfanyl-2-[(2-thioxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid CAS Name: 3-mercapto-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid IUPAC Name: 3-sulfanyl-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid Traditional Name: 3-mercapto-2-[(2-thioxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]propionic acid Formula: C10H10N2O4S4 MolecularWeight: 350.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NC(CS)C(=O)O)SC(=S)N2

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NC(CS)C(=O)O)SC(=S)N2

InChI

InChI=1S/C10H10N2O4S4/c13-9(14)7(4-17)12-20(15,16)5-1-2-6-8(3-5)19-10(18)11-6/h1-3,7,12,17H,4H2,(H,11,18)(H,13,14)