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

Systemtic Name: butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid butyl ester Formula: C16H22NO2S2+ MolecularWeight: 324.48138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)CCC

Isomeric SMILES

CCCCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)CCC

InChI

InChI=1S/C16H22NO2S2/c1-3-5-11-19-15(18)12-20-16-17(10-4-2)13-8-6-7-9-14(13)21-16/h6-9H,3-5,10-12H2,1-2H3/q+1