methyl 3-(7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonylsulfanylpropanoate

Systemtic Name: methyl 3-(7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonylsulfanylpropanoate Openeye Name: methyl 3-(7-chloro-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl)sulfanylpropanoate CAS Name: 3-[[(7-chloro-1-ethyl-6-fluoro-4-oxo-3-quinolinyl)-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)sulfanylpropanoate Traditional Name: 3-[(7-chloro-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl)thio]propionic acid methyl ester Formula: C16H15ClFNO4S MolecularWeight: 371.811003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)SCCC(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)SCCC(=O)OC

InChI

InChI=1S/C16H15ClFNO4S/c1-3-19-8-10(16(22)24-5-4-14(20)23-2)15(21)9-6-12(18)11(17)7-13(9)19/h6-8H,3-5H2,1-2H3