ethyl 2-(1-chloranyl-2-fluoranyl-ethyl)sulfanyl-6,7-bis(fluoranyl)-8-methoxy-4-(phenylcarbonyloxy)quinoline-3-carboxylate

Systemtic Name: ethyl 2-(1-chloranyl-2-fluoranyl-ethyl)sulfanyl-6,7-bis(fluoranyl)-8-methoxy-4-(phenylcarbonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 4-benzoyloxy-2-(1-chloro-2-fluoro-ethyl)sulfanyl-6,7-difluoro-8-methoxy-quinoline-3-carboxylate CAS Name: 4-benzoyloxy-2-[(1-chloro-2-fluoroethyl)thio]-6,7-difluoro-8-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-2-(1-chloro-2-fluoroethyl)sulfanyl-6,7-difluoro-8-methoxyquinoline-3-carboxylate Traditional Name: 4-benzoyloxy-2-[(1-chloro-2-fluoro-ethyl)thio]-6,7-difluoro-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C22H17ClF3NO5S MolecularWeight: 499.88729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1SC(CF)Cl)OC)F)F)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1SC(CF)Cl)OC)F)F)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17ClF3NO5S/c1-3-31-22(29)15-18(32-21(28)11-7-5-4-6-8-11)12-9-13(25)16(26)19(30-2)17(12)27-20(15)33-14(23)10-24/h4-9,14H,3,10H2,1-2H3