2-(1-chloranyl-2-fluoranyl-ethyl)sulfanyl-6-fluoranyl-7-phenyl-4-(phenylcarbonyloxy)quinoline-3-carboxylic acid

Systemtic Name: 2-(1-chloranyl-2-fluoranyl-ethyl)sulfanyl-6-fluoranyl-7-phenyl-4-(phenylcarbonyloxy)quinoline-3-carboxylic acid Openeye Name: 4-benzoyloxy-2-(1-chloro-2-fluoro-ethyl)sulfanyl-6-fluoro-7-phenyl-quinoline-3-carboxylic acid CAS Name: 4-benzoyloxy-2-[(1-chloro-2-fluoroethyl)thio]-6-fluoro-7-phenyl-3-quinolinecarboxylic acid IUPAC Name: 4-benzoyloxy-2-(1-chloro-2-fluoroethyl)sulfanyl-6-fluoro-7-phenylquinoline-3-carboxylic acid Traditional Name: 4-benzoyloxy-2-[(1-chloro-2-fluoro-ethyl)thio]-6-fluoro-7-phenyl-quinoline-3-carboxylic acid Formula: C25H16ClF2NO4S MolecularWeight: 499.913646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C3C(=C2)N=C(C(=C3OC(=O)C4=CC=CC=C4)C(=O)O)SC(CF)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C3C(=C2)N=C(C(=C3OC(=O)C4=CC=CC=C4)C(=O)O)SC(CF)Cl)F

InChI

InChI=1S/C25H16ClF2NO4S/c26-20(13-27)34-23-21(24(30)31)22(33-25(32)15-9-5-2-6-10-15)17-11-18(28)16(12-19(17)29-23)14-7-3-1-4-8-14/h1-12,20H,13H2,(H,30,31)