methyl 2-[4-(4-chlorophenyl)-5-methylsulfanyl-1,2-thiazol-2-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-5-methylsulfanyl-1,2-thiazol-2-ium-2-yl]ethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)-5-methylsulfanyl-isothiazol-2-ium-2-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-5-(methylthio)-2-isothiazol-2-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-5-methylsulfanyl-1,2-thiazol-2-ium-2-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-5-(methylthio)isothiazol-2-ium-2-yl]acetic acid methyl ester Formula: C13H13ClNO2S2+ MolecularWeight: 314.83082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClNO2S2/c1-17-12(16)8-15-7-11(13(18-2)19-15)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3/q+1