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

Systemtic Name: propyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide Openeye Name: propyl 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 propyl ester bromide IUPAC Name: propyl 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 propyl ester bromide Formula: C13H16BrNO2S2 MolecularWeight: 362.30564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO2S2.BrH/c1-3-8-16-12(15)9-17-13-14(2)10-6-4-5-7-11(10)18-13;/h4-7H,3,8-9H2,1-2H3;1H/q+1;/p-1