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

Systemtic Name: ethyl 4-acetyloxy-2-(1-chloranyl-2-fluoranyl-ethyl)sulfanyl-6,7-bis(fluoranyl)quinoline-3-carboxylate Openeye Name: ethyl 4-acetoxy-2-(1-chloro-2-fluoro-ethyl)sulfanyl-6,7-difluoro-quinoline-3-carboxylate CAS Name: 4-acetyloxy-2-[(1-chloro-2-fluoroethyl)thio]-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-2-(1-chloro-2-fluoroethyl)sulfanyl-6,7-difluoroquinoline-3-carboxylate Traditional Name: 4-acetoxy-2-[(1-chloro-2-fluoro-ethyl)thio]-6,7-difluoro-quinoline-3-carboxylic acid ethyl ester Formula: C16H13ClF3NO4S MolecularWeight: 407.79193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClF3NO4S/c1-3-24-16(23)13-14(25-7(2)22)8-4-9(19)10(20)5-11(8)21-15(13)26-12(17)6-18/h4-5,12H,3,6H2,1-2H3