ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide

Systemtic Name: ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(SC2=C1C=C(C=C2)OC)C.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(SC2=C1C=C(C=C2)OC)C.[Br-]

InChI

InChI=1S/C13H16NO3S.BrH/c1-4-17-13(15)8-14-9(2)18-12-6-5-10(16-3)7-11(12)14;/h5-7H,4,8H2,1-3H3;1H/q+1;/p-1