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

Systemtic Name: 1-cyclohexyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxidanylidene-1,8-naphthyridin-2-olate Openeye Name: 1-cyclohexyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 1-cyclohexyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate IUPAC Name: 1-cyclohexyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-cyclohexyl-4-keto-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-1,8-naphthyridin-2-olate Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)C4CCCCC4)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)C4CCCCC4)[O-]

InChI

InChI=1S/C26H32N2O6S/c1-31-20-15-18(16-21(32-2)23(20)33-3)34-13-14-35(4)24-22(29)19-11-8-12-27-25(19)28(26(24)30)17-9-6-5-7-10-17/h8,11-12,15-17H,5-7,9-10,13-14H2,1-4H3