2-[5-acetamido-3,4-bis(chloranyl)-3H-1,2-thiazol-2-yl]propanoic acid

Systemtic Name: 2-[5-acetamido-3,4-bis(chloranyl)-3H-1,2-thiazol-2-yl]propanoic acid Openeye Name: 2-(5-acetamido-3,4-dichloro-3H-isothiazol-2-yl)propanoic acid CAS Name: 2-(5-acetamido-3,4-dichloro-3H-isothiazol-2-yl)propanoic acid IUPAC Name: 2-(5-acetamido-3,4-dichloro-3H-1,2-thiazol-2-yl)propanoic acid Traditional Name: 2-(5-acetamido-3,4-dichloro-4-isothiazolin-2-yl)propionic acid Formula: C8H10Cl2N2O3S MolecularWeight: 285.1476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(C(=C(S1)NC(=O)C)Cl)Cl

Isomeric SMILES

CC(C(=O)O)N1C(C(=C(S1)NC(=O)C)Cl)Cl

InChI

InChI=1S/C8H10Cl2N2O3S/c1-3(8(14)15)12-6(10)5(9)7(16-12)11-4(2)13/h3,6H,1-2H3,(H,11,13)(H,14,15)