ethyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate bromide

Systemtic Name: ethyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: ethyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide Formula: C11H12BrNO2S MolecularWeight: 302.18748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C11H12NO2S.BrH/c1-2-14-11(13)7-12-8-15-10-6-4-3-5-9(10)12;/h3-6,8H,2,7H2,1H3;1H/q+1;/p-1