ethyl 8-chloranyl-1-ethyl-6,7-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-1-ethyl-6,7-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 8-chloro-1-ethyl-6,7-difluoro-4-oxo-2-phenylsulfanyl-quinoline-3-carboxylate CAS Name: 8-chloro-1-ethyl-6,7-difluoro-4-oxo-2-(phenylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-1-ethyl-6,7-difluoro-4-oxo-2-phenylsulfanylquinoline-3-carboxylate Traditional Name: 8-chloro-1-ethyl-6,7-difluoro-4-keto-2-(phenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C20H16ClF2NO3S MolecularWeight: 423.860746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2C(=O)C(=C1SC3=CC=CC=C3)C(=O)OCC)F)F)Cl

Isomeric SMILES

CCN1C2=C(C(=C(C=C2C(=O)C(=C1SC3=CC=CC=C3)C(=O)OCC)F)F)Cl

InChI

InChI=1S/C20H16ClF2NO3S/c1-3-24-17-12(10-13(22)16(23)15(17)21)18(25)14(20(26)27-4-2)19(24)28-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3