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

Systemtic Name: 1-ethoxy-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-yl-prop-1-en-1-olate Openeye Name: 1-ethoxy-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-prop-1-en-1-olate CAS Name: 1-ethoxy-3-(4-methylphenyl)sulfonylimino-2-(1-pyridin-1-iumyl)-1-propen-1-olate IUPAC Name: 1-ethoxy-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-ylprop-1-en-1-olate Traditional Name: 1-ethoxy-2-pyridin-1-ium-1-yl-3-tosylimino-prop-1-en-1-olate Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-3-23-17(20)16(19-11-5-4-6-12-19)13-18-24(21,22)15-9-7-14(2)8-10-15/h4-13H,3H2,1-2H3