ethyl 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-(2-methyl-5-phenyl-isothiazol-2-ium-3-yl)sulfanylacetate CAS Name: 2-[(2-methyl-5-phenyl-3-isothiazol-2-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(2-methyl-5-phenyl-isothiazol-2-ium-3-yl)thio]acetic acid ethyl ester Formula: C14H16NO2S2+ MolecularWeight: 294.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[N+](SC(=C1)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CSC1=[N+](SC(=C1)C2=CC=CC=C2)C

InChI

InChI=1S/C14H16NO2S2/c1-3-17-14(16)10-18-13-9-12(19-15(13)2)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3/q+1