ethyl (3Z)-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-2-pyridin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (3Z)-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-2-pyridin-1-ium-1-yl-propanoate Openeye Name: ethyl (3Z)-3-methylsulfanyl-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-propanoate CAS Name: (3Z)-3-(4-methylphenyl)sulfonylimino-3-(methylthio)-2-(1-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (3Z)-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-2-pyridin-1-ium-1-ylpropanoate Traditional Name: (3Z)-3-(methylthio)-2-pyridin-1-ium-1-yl-3-tosylimino-propionic acid ethyl ester Formula: C18H21N2O4S2+ MolecularWeight: 393.50034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O4S2/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/h5-13,16H,4H2,1-3H3/q+1/b19-17-