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

Systemtic Name: ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoate Openeye Name: ethyl 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetate CAS Name: 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate Traditional Name: 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetic acid ethyl ester Formula: C19H18NO2S+ MolecularWeight: 324.41672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H18NO2S/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/h3-13H,2,14H2,1H3/q+1/b13-12+