methyl 2-(3,5-diphenyl-1,2-thiazol-2-ium-2-yl)ethanoate

Systemtic Name: methyl 2-(3,5-diphenyl-1,2-thiazol-2-ium-2-yl)ethanoate Openeye Name: methyl 2-(3,5-diphenylisothiazol-2-ium-2-yl)acetate CAS Name: 2-(3,5-diphenyl-2-isothiazol-2-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(3,5-diphenyl-1,2-thiazol-2-ium-2-yl)acetate Traditional Name: 2-(3,5-diphenylisothiazol-2-ium-2-yl)acetic acid methyl ester Formula: C18H16NO2S+ MolecularWeight: 310.39014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C(C=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C[N+]1=C(C=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16NO2S/c1-21-18(20)13-19-16(14-8-4-2-5-9-14)12-17(22-19)15-10-6-3-7-11-15/h2-12H,13H2,1H3/q+1