3-[5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzothiazol-3-yl]propane-1-sulfonate
Molecular Formula:
C
16
H
21
NO
3
S
3
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