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

Systemtic Name: ethyl 2-(2-acetyloxyethylsulfanyl)-6,7-bis(fluoranyl)-4-(phenylcarbonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 2-(2-acetoxyethylsulfanyl)-4-benzoyloxy-6,7-difluoro-quinoline-3-carboxylate CAS Name: 2-(2-acetyloxyethylthio)-4-benzoyloxy-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetyloxyethylsulfanyl)-4-benzoyloxy-6,7-difluoroquinoline-3-carboxylate Traditional Name: 2-(2-acetoxyethylthio)-4-benzoyloxy-6,7-difluoro-quinoline-3-carboxylic acid ethyl ester Formula: C23H19F2NO6S MolecularWeight: 475.461866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1SCCOC(=O)C)F)F)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1SCCOC(=O)C)F)F)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H19F2NO6S/c1-3-30-23(29)19-20(32-22(28)14-7-5-4-6-8-14)15-11-16(24)17(25)12-18(15)26-21(19)33-10-9-31-13(2)27/h4-8,11-12H,3,9-10H2,1-2H3