3-[2-[4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)phenoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate

Systemtic Name: 3-[2-[4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)phenoxy]ethyl-methyl-sulfonio]-4-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-2-olate Openeye Name: 1-benzyl-3-[2-[4-(3-methoxy-2-methoxycarbonyl-3-oxo-propyl)phenoxy]ethyl-methyl-sulfonio]-4-oxo-1,8-naphthyridin-2-olate CAS Name: 3-[2-[4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenoxy]ethyl-methylsulfonio]-4-oxo-1-(phenylmethyl)-1,8-naphthyridin-2-olate IUPAC Name: 1-benzyl-3-[2-[4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenoxy]ethyl-methylsulfonio]-4-oxo-1,8-naphthyridin-2-olate Traditional Name: 1-benzyl-3-[2-[4-(2-carbomethoxy-3-keto-3-methoxy-propyl)phenoxy]ethyl-methyl-sulfonio]-4-keto-1,8-naphthyridin-2-olate Formula: C30H30N2O7S MolecularWeight: 562.6334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O7S/c1-37-29(35)24(30(36)38-2)18-20-11-13-22(14-12-20)39-16-17-40(3)26-25(33)23-10-7-15-31-27(23)32(28(26)34)19-21-8-5-4-6-9-21/h4-15,24H,16-19H2,1-3H3