ethenyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoate bromide

Systemtic Name: ethenyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoate bromide Openeye Name: vinyl 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetate bromide CAS Name: 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid ethenyl ester bromide IUPAC Name: ethenyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate bromide Traditional Name: 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetic acid vinyl ester bromide Formula: C19H16BrNO2S MolecularWeight: 402.30484

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C=COC(=O)C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H16NO2S.BrH/c1-2-22-19(21)14-20-16-10-6-7-11-17(16)23-18(20)13-12-15-8-4-3-5-9-15;/h2-13H,1,14H2;1H/q+1;/p-1/b13-12+;