2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid bromide

Systemtic Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid bromide Openeye Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid bromide CAS Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid bromide IUPAC Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid bromide Traditional Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid bromide Formula: C11H12BrNO2S2 MolecularWeight: 334.25248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O.[Br-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O.[Br-]

InChI

InChI=1S/C11H11NO2S2.BrH/c1-2-12-8-5-3-4-6-9(8)16-11(12)15-7-10(13)14;/h3-6H,2,7H2,1H3;1H