3-azanyl-6-fluoranyl-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-6-fluoranyl-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-amino-6-fluoro-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 3-amino-6-fluoro-2-[4-(phenylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-fluoro-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-amino-6-fluoro-2-[4-(phenylthio)phenyl]cinchoninic acid Formula: C22H15FN2O2S MolecularWeight: 390.430103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)N

InChI

InChI=1S/C22H15FN2O2S/c23-14-8-11-18-17(12-14)19(22(26)27)20(24)21(25-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12H,24H2,(H,26,27)