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

Systemtic Name: 7-chloranyl-6-fluoranyl-4-oxidanylidene-1-(2-phenylsulfanylethoxymethyl)quinoline-3-carboxylic acid Openeye Name: 7-chloro-6-fluoro-4-oxo-1-(2-phenylsulfanylethoxymethyl)quinoline-3-carboxylic acid CAS Name: 7-chloro-6-fluoro-4-oxo-1-[2-(phenylthio)ethoxymethyl]-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-6-fluoro-4-oxo-1-(2-phenylsulfanylethoxymethyl)quinoline-3-carboxylic acid Traditional Name: 7-chloro-6-fluoro-4-keto-1-[2-(phenylthio)ethoxymethyl]quinoline-3-carboxylic acid Formula: C19H15ClFNO4S MolecularWeight: 407.843103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOCN2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCOCN2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O

InChI

InChI=1S/C19H15ClFNO4S/c20-15-9-17-13(8-16(15)21)18(23)14(19(24)25)10-22(17)11-26-6-7-27-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,24,25)