ethyl (Z)-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-(3,5-dimethylpyridin-1-ium-1-yl)-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-(3,5-dimethylpyridin-1-ium-1-yl)-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (Z)-3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-2-(3,5-dimethylpyridin-1-ium-1-yl)-3-methylsulfanyl-prop-2-enoate CAS Name: (Z)-3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2-(3,5-dimethylpyridin-1-ium-1-yl)-3-methylsulfanylprop-2-enoate Traditional Name: (Z)-3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(methylthio)acrylic acid ethyl ester Formula: C21H23BrNO3S2+ MolecularWeight: 481.44622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SCC(=O)C1=CC=C(C=C1)Br)[N+]2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)/C(=C(\SC)/SCC(=O)C1=CC=C(C=C1)Br)/[N+]2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H23BrNO3S2/c1-5-26-20(25)19(23-11-14(2)10-15(3)12-23)21(27-4)28-13-18(24)16-6-8-17(22)9-7-16/h6-12H,5,13H2,1-4H3/q+1/b21-19-