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

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-2-(3-oxidanylidenebutan-2-ylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-6-fluoro-2-(1-methyl-2-oxo-propyl)sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-oxo-2-(3-oxobutan-2-ylthio)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-4-oxo-2-(3-oxobutan-2-ylsulfanyl)-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-keto-2-[(2-keto-1-methyl-propyl)thio]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H15ClFNO4S MolecularWeight: 371.811003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFNO4S/c1-4-23-16(22)13-14(21)9-5-11(18)10(17)6-12(9)19-15(13)24-8(3)7(2)20/h5-6,8H,4H2,1-3H3,(H,19,21)