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

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-(methoxymethylsulfanyl)-4-(phenylcarbonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 4-benzoyloxy-6,7-difluoro-2-(methoxymethylsulfanyl)quinoline-3-carboxylate CAS Name: 4-benzoyloxy-6,7-difluoro-2-(methoxymethylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-6,7-difluoro-2-(methoxymethylsulfanyl)quinoline-3-carboxylate Traditional Name: 4-benzoyloxy-6,7-difluoro-2-(methoxymethylthio)quinoline-3-carboxylic acid ethyl ester Formula: C21H17F2NO5S MolecularWeight: 433.425186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F2NO5S/c1-3-28-21(26)17-18(29-20(25)12-7-5-4-6-8-12)13-9-14(22)15(23)10-16(13)24-19(17)30-11-27-2/h4-10H,3,11H2,1-2H3