ethyl (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enoate bromide

Systemtic Name: ethyl (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enoate bromide Openeye Name: ethyl (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enoate bromide CAS Name: (Z)-3-(ethylthio)-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenacylthio)-2-propenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanylprop-2-enoate bromide Traditional Name: (Z)-3-(ethylthio)-2-(4-methylpyridin-1-ium-1-yl)-3-(phenacylthio)acrylic acid ethyl ester bromide Formula: C21H24BrNO3S2 MolecularWeight: 482.45416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO3S2.BrH/c1-4-25-20(24)19(22-13-11-16(3)12-14-22)21(26-5-2)27-15-18(23)17-9-7-6-8-10-17;/h6-14H,4-5,15H2,1-3H3;1H/q+1;/p-1/b21-19-;