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

Systemtic Name: 1-cyclopentyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxidanylidene-1,8-naphthyridin-2-olate Openeye Name: 1-cyclopentyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 1-cyclopentyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate IUPAC Name: 1-cyclopentyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-cyclopentyl-4-keto-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-1,8-naphthyridin-2-olate Formula: C25H30N2O6S MolecularWeight: 486.5805

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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)C4CCCC4)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)C4CCCC4)[O-]

InChI

InChI=1S/C25H30N2O6S/c1-30-19-14-17(15-20(31-2)22(19)32-3)33-12-13-34(4)23-21(28)18-10-7-11-26-24(18)27(25(23)29)16-8-5-6-9-16/h7,10-11,14-16H,5-6,8-9,12-13H2,1-4H3