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

Systemtic Name: ethyl (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: ethyl (Z)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enoate CAS Name: (Z)-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenacylthio)-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanylprop-2-enoate Traditional Name: (Z)-3-(benzylthio)-2-(4-methylpyridin-1-ium-1-yl)-3-(phenacylthio)acrylic acid ethyl ester Formula: C26H26NO3S2+ MolecularWeight: 464.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC1=CC=CC=C1)SCC(=O)C2=CC=CC=C2)[N+]3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)/C(=C(\SCC1=CC=CC=C1)/SCC(=O)C2=CC=CC=C2)/[N+]3=CC=C(C=C3)C

InChI

InChI=1S/C26H26NO3S2/c1-3-30-25(29)24(27-16-14-20(2)15-17-27)26(31-18-21-10-6-4-7-11-21)32-19-23(28)22-12-8-5-9-13-22/h4-17H,3,18-19H2,1-2H3/q+1/b26-24-