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

Systemtic Name: ethyl (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate bromide Openeye Name: ethyl (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate bromide CAS Name: (Z)-3-(ethylthio)-3-(phenacylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enoate bromide Traditional Name: (Z)-3-(ethylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester bromide Formula: C20H22BrNO3S2 MolecularWeight: 468.42758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO3S2.BrH/c1-3-24-19(23)18(21-13-9-6-10-14-21)20(25-4-2)26-15-17(22)16-11-7-5-8-12-16;/h5-14H,3-4,15H2,1-2H3;1H/q+1;/p-1/b20-18-;