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

Systemtic Name: 1-cyclobutyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxidanylidene-1,8-naphthyridin-2-olate Openeye Name: 1-cyclobutyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 1-cyclobutyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate IUPAC Name: 1-cyclobutyl-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-cyclobutyl-4-keto-3-[methyl-[2-(3,4,5-trimethoxyphenoxy)ethyl]sulfonio]-1,8-naphthyridin-2-olate Formula: C24H28N2O6S MolecularWeight: 472.55392

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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)C4CCC4)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)C4CCC4)[O-]

InChI

InChI=1S/C24H28N2O6S/c1-29-18-13-16(14-19(30-2)21(18)31-3)32-11-12-33(4)22-20(27)17-9-6-10-25-23(17)26(24(22)28)15-7-5-8-15/h6,9-10,13-15H,5,7-8,11-12H2,1-4H3