3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxidanylidene-1H-1,8-naphthyridin-2-olate

Systemtic Name: 3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxidanylidene-1H-1,8-naphthyridin-2-olate Openeye Name: 3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate CAS Name: 3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate IUPAC Name: 3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate Traditional Name: 4-keto-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-1H-1,8-naphthyridin-2-olate Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC[S+](C)C2=C(NC3=C(C2=O)C=CC=N3)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC[S+](C)C2=C(NC3=C(C2=O)C=CC=N3)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-25-14-10-12(11-15(26-2)17(14)27-3)28-8-9-29(4)18-16(23)13-6-5-7-21-19(13)22-20(18)24/h5-7,10-11H,8-9H2,1-4H3,(H-,21,22,23,24)