(E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-yl-prop-1-en-1-olate

Systemtic Name: (E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-yl-prop-1-en-1-olate Openeye Name: (E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-prop-1-en-1-olate CAS Name: (E,3Z)-1-ethoxy-3-[(2-ethoxy-2-oxoethyl)thio]-3-(4-methylphenyl)sulfonylimino-2-(1-pyridin-1-iumyl)-1-propen-1-olate IUPAC Name: (E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxoethyl)sulfanyl-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-ylprop-1-en-1-olate Traditional Name: (E,3Z)-1-ethoxy-3-[(2-ethoxy-2-keto-ethyl)thio]-2-pyridin-1-ium-1-yl-3-tosylimino-prop-1-en-1-olate Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CS/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/C(=C(/[O-])\OCC)/[N+]2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6S2/c1-4-28-18(24)15-30-20(22-31(26,27)17-11-9-16(3)10-12-17)19(21(25)29-5-2)23-13-7-6-8-14-23/h6-14H,4-5,15H2,1-3H3