ethyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide

Systemtic Name: ethyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide Openeye Name: ethyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate bromide CAS Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate bromide Traditional Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid ethyl ester bromide Formula: C12H14BrNO2S2 MolecularWeight: 348.27906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)C.[Br-]

Isomeric SMILES

CCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)C.[Br-]

InChI

InChI=1S/C12H14NO2S2.BrH/c1-3-15-11(14)8-16-12-13(2)9-6-4-5-7-10(9)17-12;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1