ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoate bromide

Systemtic Name: ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoate bromide Openeye Name: ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformate bromide CAS Name: [(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid ethyl ester bromide IUPAC Name: ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformate bromide Traditional Name: [(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid ethyl ester bromide Formula: C11H12BrNO2S2 MolecularWeight: 334.25248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SC1=[N+](C2=CC=CC=C2S1)C.[Br-]

Isomeric SMILES

CCOC(=O)SC1=[N+](C2=CC=CC=C2S1)C.[Br-]

InChI

InChI=1S/C11H12NO2S2.BrH/c1-3-14-11(13)16-10-12(2)8-6-4-5-7-9(8)15-10;/h4-7H,3H2,1-2H3;1H/q+1;/p-1