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

Systemtic Name: ethyl 3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enoate Openeye Name: ethyl 3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enoate CAS Name: 3,3-bis(methylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3,3-bis(methylsulfanyl)-2-pyridin-1-ium-1-ylprop-2-enoate Traditional Name: 3,3-bis(methylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester Formula: C12H16NO2S2+ MolecularWeight: 270.39094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO2S2/c1-4-15-11(14)10(12(16-2)17-3)13-8-6-5-7-9-13/h5-9H,4H2,1-3H3/q+1