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

Systemtic Name: 3-[methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxidanylidene-1H-1,8-naphthyridin-2-olate Openeye Name: 3-[methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate CAS Name: 3-[methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate IUPAC Name: 3-[methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate Traditional Name: 4-keto-3-[methyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-1H-1,8-naphthyridin-2-olate Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-26-15-11-13(12-16(27-2)18(15)28-3)29-9-6-10-30(4)19-17(24)14-7-5-8-22-20(14)23-21(19)25/h5,7-8,11-12H,6,9-10H2,1-4H3,(H-,22,23,24,25)