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

Systemtic Name: 2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methoxy]ethyl-methyl-[2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-3-yl]sulfanium Openeye Name: (1-benzyl-2-hydroxy-4-oxo-1,8-naphthyridin-3-yl)-[2-[(4-hydroxy-3,5-dimethoxy-phenyl)methoxy]ethyl]-methyl-sulfonium CAS Name: 2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]ethyl-[2-hydroxy-4-oxo-1-(phenylmethyl)-1,8-naphthyridin-3-yl]-methylsulfonium IUPAC Name: (1-benzyl-2-hydroxy-4-oxo-1,8-naphthyridin-3-yl)-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]ethyl]-methylsulfanium Traditional Name: (1-benzyl-2-hydroxy-4-keto-1,8-naphthyridin-3-yl)-[2-(4-hydroxy-3,5-dimethoxy-benzyl)oxyethyl]-methyl-sulfonium Formula: C27H29N2O6S+ MolecularWeight: 509.59396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)COCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)COCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O6S/c1-33-21-14-19(15-22(34-2)24(21)31)17-35-12-13-36(3)25-23(30)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)/p+1