ethyl 1-cyclopropyl-6-fluoranyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]-1,8-naphthyridine-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(2-tosylisoindolin-5-yl)-1,8-naphthyridine-3-carboxylic acid ethyl ester Formula: C29H26FN3O5S MolecularWeight: 547.597243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C6CC6

InChI

InChI=1S/C29H26FN3O5S/c1-3-38-29(35)24-16-33(21-8-9-21)28-23(27(24)34)13-25(30)26(31-28)18-6-7-19-14-32(15-20(19)12-18)39(36,37)22-10-4-17(2)5-11-22/h4-7,10-13,16,21H,3,8-9,14-15H2,1-2H3