3-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzothiazol-3-yl]propane-1-sulfonate

Molecular Formula: C16H21NO3S3


InChI: InChI=1/C16H21NO3S3/c1-4-13(21-3)11-16-17(8-5-9-23(18,19)20)14-10-12(2)6-7-15(14)22-16/h6-7,10-11H,4-5,8-9H2,1-3H3/b13-11+

InChIKey: InChIKey=BBLJOUQSLOHUGG-ACCUITESBH
SMILES: CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CCCS(=O)(=O)[O-])SC

Names:
    3-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzothiazol-3-yl]propane-1-sulfonate

Registries:
    PubChem CID 5717513
    PubChem ID 3293100