3-(2,6-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid bromide

Systemtic Name: 3-(2,6-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid bromide Openeye Name: 3-(2,6-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid bromide CAS Name: 3-(2,6-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid bromide IUPAC Name: 3-(2,6-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid bromide Traditional Name: 3-(2,6-dimethyl-2H-1,3-benzothiazol-3-yl)propionic acid bromide Formula: C12H15BrNO2S- MolecularWeight: 317.222

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C=C2)C)CCC(=O)O.[Br-]

Isomeric SMILES

CC1N(C2=C(S1)C=C(C=C2)C)CCC(=O)O.[Br-]

InChI

InChI=1S/C12H15NO2S.BrH/c1-8-3-4-10-11(7-8)16-9(2)13(10)6-5-12(14)15;/h3-4,7,9H,5-6H2,1-2H3,(H,14,15);1H/p-1