ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate

Systemtic Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate Openeye Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3,3-bis(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylthio)acrylic acid ethyl ester Formula: C14H20NO2S2+ MolecularWeight: 298.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SC)[N+]1=CC(=CC(=C1)C)C

Isomeric SMILES

CCOC(=O)C(=C(SC)SC)[N+]1=CC(=CC(=C1)C)C

InChI

InChI=1S/C14H20NO2S2/c1-6-17-13(16)12(14(18-4)19-5)15-8-10(2)7-11(3)9-15/h7-9H,6H2,1-5H3/q+1