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

Systemtic Name: butyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide Openeye Name: butyl 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 butyl ester bromide IUPAC Name: butyl 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 butyl ester bromide Formula: C14H18BrNO2S2 MolecularWeight: 376.33222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO2S2.BrH/c1-3-4-9-17-13(16)10-18-14-15(2)11-7-5-6-8-12(11)19-14;/h5-8H,3-4,9-10H2,1-2H3;1H/q+1;/p-1