3-[2-[(3,4-dimethoxy-5-oxidanyl-phenyl)methoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate

Systemtic Name: 3-[2-[(3,4-dimethoxy-5-oxidanyl-phenyl)methoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate Openeye Name: 1-benzyl-3-[2-[(3-hydroxy-4,5-dimethoxy-phenyl)methoxy]ethyl-methyl-sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 3-[2-[(3-hydroxy-4,5-dimethoxyphenyl)methoxy]ethyl-methylsulfonio]-4-oxo-1-(phenylmethyl)-1,8-naphthyridin-2-olate IUPAC Name: 1-benzyl-3-[2-[(3-hydroxy-4,5-dimethoxyphenyl)methoxy]ethyl-methylsulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-benzyl-3-[2-(3-hydroxy-4,5-dimethoxy-benzyl)oxyethyl-methyl-sulfonio]-4-keto-1,8-naphthyridin-2-olate Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)COCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)COCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H28N2O6S/c1-33-22-15-19(14-21(30)24(22)34-2)17-35-12-13-36(3)25-23(31)20-10-7-11-28-26(20)29(27(25)32)16-18-8-5-4-6-9-18/h4-11,14-15H,12-13,16-17H2,1-3H3,(H-,30,31,32)