7-chloranyl-6-fluoranyl-1-(2-methylsulfanylethoxymethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-6-fluoranyl-1-(2-methylsulfanylethoxymethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-6-fluoro-1-(2-methylsulfanylethoxymethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-6-fluoro-1-[2-(methylthio)ethoxymethyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-6-fluoro-1-(2-methylsulfanylethoxymethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-chloro-6-fluoro-4-keto-1-[2-(methylthio)ethoxymethyl]quinoline-3-carboxylic acid Formula: C14H13ClFNO4S MolecularWeight: 345.773723

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O

Isomeric SMILES

CSCCOCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O

InChI

InChI=1S/C14H13ClFNO4S/c1-22-3-2-21-7-17-6-9(14(19)20)13(18)8-4-11(16)10(15)5-12(8)17/h4-6H,2-3,7H2,1H3,(H,19,20)