ethyl 6-chloranyl-1-cyclopropyl-8-fluoranyl-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-cyclopropyl-8-fluoranyl-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-cyclopropyl-8-fluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-cyclopropyl-8-fluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxoquinoline-3-carboxylate Traditional Name: 6-chloro-1-cyclopropyl-8-fluoro-4-keto-7-[mesyl(phenyl)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C23H21ClFNO5S MolecularWeight: 477.932943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)Cl)C(C3=CC=CC=C3)S(=O)(=O)C)F)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)Cl)C(C3=CC=CC=C3)S(=O)(=O)C)F)C4CC4

InChI

InChI=1S/C23H21ClFNO5S/c1-3-31-23(28)16-12-26(14-9-10-14)20-15(21(16)27)11-17(24)18(19(20)25)22(32(2,29)30)13-7-5-4-6-8-13/h4-8,11-12,14,22H,3,9-10H2,1-2H3