1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-2-pyridin-1-ium-1-yl-prop-1-en-1-olate

Systemtic Name: 1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-2-pyridin-1-ium-1-yl-prop-1-en-1-olate Openeye Name: 1-ethoxy-3-methylsulfanyl-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-prop-1-en-1-olate CAS Name: 1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-(methylthio)-2-(1-pyridin-1-iumyl)-1-propen-1-olate IUPAC Name: 1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-2-pyridin-1-ium-1-ylprop-1-en-1-olate Traditional Name: 1-ethoxy-3-(methylthio)-2-pyridin-1-ium-1-yl-3-tosylimino-prop-1-en-1-olate Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=NS(=O)(=O)C1=CC=C(C=C1)C)SC)[N+]2=CC=CC=C2)[O-]

Isomeric SMILES

CCOC(=C(C(=NS(=O)(=O)C1=CC=C(C=C1)C)SC)[N+]2=CC=CC=C2)[O-]

InChI

InChI=1S/C18H20N2O4S2/c1-4-24-18(21)16(20-12-6-5-7-13-20)17(25-3)19-26(22,23)15-10-8-14(2)9-11-15/h5-13H,4H2,1-3H3