2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ethanoate

Systemtic Name: 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ethanoate Openeye Name: 2-[2-[(E)-2-(4-methoxyphenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]ethyl acetate CAS Name: acetic acid 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ester IUPAC Name: 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl acetate Traditional Name: acetic acid 2-[2-[(E)-2-(4-methoxyphenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ester Formula: C20H20NO3S+ MolecularWeight: 354.4427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO3S/c1-15(22)24-14-13-21-18-5-3-4-6-19(18)25-20(21)12-9-16-7-10-17(23-2)11-8-16/h3-12H,13-14H2,1-2H3/q+1/b12-9+