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

Systemtic Name: 3-[ethyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxidanylidene-1H-1,8-naphthyridin-2-olate Openeye Name: 3-[ethyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate CAS Name: 3-[ethyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate IUPAC Name: 3-[ethyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-oxo-1H-1,8-naphthyridin-2-olate Traditional Name: 3-[ethyl-[3-(3,4,5-trimethoxyphenoxy)propyl]sulfonio]-4-keto-1H-1,8-naphthyridin-2-olate Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+](CCCOC1=CC(=C(C(=C1)OC)OC)OC)C2=C(NC3=C(C2=O)C=CC=N3)[O-]

Isomeric SMILES

CC[S+](CCCOC1=CC(=C(C(=C1)OC)OC)OC)C2=C(NC3=C(C2=O)C=CC=N3)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-5-31(20-18(25)15-8-6-9-23-21(15)24-22(20)26)11-7-10-30-14-12-16(27-2)19(29-4)17(13-14)28-3/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H-,23,24,25,26)