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

Systemtic Name: ethyl 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C30H26ClFN2O5S MolecularWeight: 581.054243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26ClFN2O5S/c1-3-39-30(36)24-16-34(21-8-9-21)28-23(29(24)35)13-25(32)26(27(28)31)18-6-7-19-14-33(15-20(19)12-18)40(37,38)22-10-4-17(2)5-11-22/h4-7,10-13,16,21H,3,8-9,14-15H2,1-2H3