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

Systemtic Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3-(phenylmethylsulfanyl)-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-enoate CAS Name: 3-mercapto-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-enoate Traditional Name: 3-(benzylthio)-3-mercapto-2-(4-methylpyridin-1-ium-1-yl)acrylic acid ethyl ester Formula: C18H20NO2S2+ MolecularWeight: 346.4869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)SCC1=CC=CC=C1)[N+]2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(=C(S)SCC1=CC=CC=C1)[N+]2=CC=C(C=C2)C

InChI

InChI=1S/C18H19NO2S2/c1-3-21-17(20)16(19-11-9-14(2)10-12-19)18(22)23-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/p+1