3-[2-[(2,6-dimethylphenyl)methoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate

Systemtic Name: 3-[2-[(2,6-dimethylphenyl)methoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate Openeye Name: 1-benzyl-3-[2-[(2,6-dimethylphenyl)methoxy]ethyl-methyl-sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 3-[2-[(2,6-dimethylphenyl)methoxy]ethyl-methylsulfonio]-4-oxo-1-(phenylmethyl)-1,8-naphthyridin-2-olate IUPAC Name: 1-benzyl-3-[2-[(2,6-dimethylphenyl)methoxy]ethyl-methylsulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-benzyl-3-[2-(2,6-dimethylbenzyl)oxyethyl-methyl-sulfonio]-4-keto-1,8-naphthyridin-2-olate Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)COCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)COCC[S+](C)C2=C(N(C3=C(C2=O)C=CC=N3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H28N2O3S/c1-19-9-7-10-20(2)23(19)18-32-15-16-33(3)25-24(30)22-13-8-14-28-26(22)29(27(25)31)17-21-11-5-4-6-12-21/h4-14H,15-18H2,1-3H3