ethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-acetonylsulfanyl-7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-oxo-2-(2-oxopropylthio)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-4-oxo-2-(2-oxopropylsulfanyl)-1H-quinoline-3-carboxylate Traditional Name: 2-(acetonylthio)-7-chloro-6-fluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C15H13ClFNO4S MolecularWeight: 357.784423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)Cl)SCC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)Cl)SCC(=O)C

InChI

InChI=1S/C15H13ClFNO4S/c1-3-22-15(21)12-13(20)8-4-10(17)9(16)5-11(8)18-14(12)23-6-7(2)19/h4-5H,3,6H2,1-2H3,(H,18,20)