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

Systemtic Name: (Z,3Z)-2-(3-azanylpyridin-1-ium-1-yl)-1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-prop-1-en-1-olate Openeye Name: (Z,3Z)-2-(3-aminopyridin-1-ium-1-yl)-1-ethoxy-3-methylsulfanyl-3-(p-tolylsulfonylimino)prop-1-en-1-olate CAS Name: (Z,3Z)-2-(3-amino-1-pyridin-1-iumyl)-1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-(methylthio)-1-propen-1-olate IUPAC Name: (Z,3Z)-2-(3-aminopyridin-1-ium-1-yl)-1-ethoxy-3-(4-methylphenyl)sulfonylimino-3-methylsulfanylprop-1-en-1-olate Traditional Name: (Z,3Z)-2-(3-aminopyridin-1-ium-1-yl)-1-ethoxy-3-(methylthio)-3-tosylimino-prop-1-en-1-olate Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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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)N)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-4-25-18(22)16(21-11-5-6-14(19)12-21)17(26-3)20-27(23,24)15-9-7-13(2)8-10-15/h5-12H,4,19H2,1-3H3