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

Systemtic Name: ethyl (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate Openeye Name: ethyl (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate CAS Name: (Z)-3-(ethylthio)-3-(phenacylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-ethylsulfanyl-3-phenacylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enoate Traditional Name: (Z)-3-(ethylthio)-3-(phenacylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester Formula: C20H22NO3S2+ MolecularWeight: 388.52358

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO3S2/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/q+1/b20-18-