ethyl 2-(3-chloranyl-2-oxidanylidene-propyl)sulfanyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-(3-chloranyl-2-oxidanylidene-propyl)sulfanyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-(3-chloro-2-oxo-propyl)sulfanyl-6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(3-chloro-2-oxopropyl)thio]-6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-2-oxopropyl)sulfanyl-6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[(3-chloro-2-keto-propyl)thio]-6,7,8-trifluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C15H11ClF3NO4S MolecularWeight: 393.76535

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)F)F)SCC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)F)F)SCC(=O)CCl

InChI

InChI=1S/C15H11ClF3NO4S/c1-2-24-15(23)9-13(22)7-3-8(17)10(18)11(19)12(7)20-14(9)25-5-6(21)4-16/h3H,2,4-5H2,1H3,(H,20,22)