ethyl 1-(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(1-ethoxycarbonyl-3-methylsulfanyl-propyl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-[1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-[1-carbethoxy-3-(methylthio)propyl]-6,7,8-trifluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C(CCSC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C(CCSC)C(=O)OCC

InChI

InChI=1S/C19H20F3NO5S/c1-4-27-18(25)11-9-23(13(6-7-29-3)19(26)28-5-2)16-10(17(11)24)8-12(20)14(21)15(16)22/h8-9,13H,4-7H2,1-3H3