[(2S)-6-fluoranyl-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl 1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate

Systemtic Name: [(2S)-6-fluoranyl-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl 1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate Openeye Name: [(2S)-6-fluoro-2-(3-thienyl)-4H-1,3-benzodioxin-8-yl]methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate CAS Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid [(2S)-6-fluoro-2-(3-thiophenyl)-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate Traditional Name: 1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carboxylic acid [(2S)-6-fluoro-2-(3-thienyl)-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H21FN2O5S MolecularWeight: 480.508043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=C4C(=CC(=C3)F)COC(O4)C5=CSC=C5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CSC=C5

InChI

InChI=1S/C25H21FN2O5S/c1-3-28-10-20(21(29)19-5-4-14(2)27-23(19)28)24(30)31-11-16-8-18(26)9-17-12-32-25(33-22(16)17)15-6-7-34-13-15/h4-10,13,25H,3,11-12H2,1-2H3/t25-/m0/s1