3-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate

Systemtic Name: 3-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate Openeye Name: 1-benzyl-3-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methoxy]ethyl-methyl-sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 3-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methoxy]ethyl-methylsulfonio]-4-oxo-1-(phenylmethyl)-1,8-naphthyridin-2-olate IUPAC Name: 1-benzyl-3-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methoxy]ethyl-methylsulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-benzyl-4-keto-3-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methoxy]ethyl-methyl-sulfonio]-1,8-naphthyridin-2-olate Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)COCC[S+](C)C3=C(N(C4=C(C3=O)C=CC=N4)CC5=CC=CC=C5)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)COCC[S+](C)C3=C(N(C4=C(C3=O)C=CC=N4)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H26N2O6S/c1-32-21-13-19(14-22-24(21)35-17-34-22)16-33-11-12-36(2)25-23(30)20-9-6-10-28-26(20)29(27(25)31)15-18-7-4-3-5-8-18/h3-10,13-14H,11-12,15-17H2,1-2H3