ethyl 4-acetyloxy-2-(1-chloroethylsulfanyl)-6,7-bis(fluoranyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-acetyloxy-2-(1-chloroethylsulfanyl)-6,7-bis(fluoranyl)quinoline-3-carboxylate Openeye Name: ethyl 4-acetoxy-2-(1-chloroethylsulfanyl)-6,7-difluoro-quinoline-3-carboxylate CAS Name: 4-acetyloxy-2-(1-chloroethylthio)-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-2-(1-chloroethylsulfanyl)-6,7-difluoroquinoline-3-carboxylate Traditional Name: 4-acetoxy-2-(1-chloroethylthio)-6,7-difluoro-quinoline-3-carboxylic acid ethyl ester Formula: C16H14ClF2NO4S MolecularWeight: 389.801466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClF2NO4S/c1-4-23-16(22)13-14(24-8(3)21)9-5-10(18)11(19)6-12(9)20-15(13)25-7(2)17/h5-7H,4H2,1-3H3