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

Systemtic Name: ethyl 6,7-bis(fluoranyl)-8-methoxy-2-(methoxymethylsulfanyl)-4-(phenylcarbonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 4-benzoyloxy-6,7-difluoro-8-methoxy-2-(methoxymethylsulfanyl)quinoline-3-carboxylate CAS Name: 4-benzoyloxy-6,7-difluoro-8-methoxy-2-(methoxymethylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-6,7-difluoro-8-methoxy-2-(methoxymethylsulfanyl)quinoline-3-carboxylate Traditional Name: 4-benzoyloxy-6,7-difluoro-8-methoxy-2-(methoxymethylthio)quinoline-3-carboxylic acid ethyl ester Formula: C22H19F2NO6S MolecularWeight: 463.451166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1SCOC)OC)F)F)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1SCOC)OC)F)F)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19F2NO6S/c1-4-30-22(27)15-18(31-21(26)12-8-6-5-7-9-12)13-10-14(23)16(24)19(29-3)17(13)25-20(15)32-11-28-2/h5-10H,4,11H2,1-3H3