1-ethyl-6-fluoranyl-7,8-bis[(4-fluorophenyl)sulfanyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7,8-bis[(4-fluorophenyl)sulfanyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7,8-bis[(4-fluorophenyl)sulfanyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7,8-bis[(4-fluorophenyl)thio]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7,8-bis[(4-fluorophenyl)sulfanyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7,8-bis[(4-fluorophenyl)thio]-4-keto-quinoline-3-carboxylic acid Formula: C24H16F3NO3S2 MolecularWeight: 487.51395

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)SC3=CC=C(C=C3)F)SC4=CC=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)SC3=CC=C(C=C3)F)SC4=CC=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C24H16F3NO3S2/c1-2-28-12-18(24(30)31)21(29)17-11-19(27)22(32-15-7-3-13(25)4-8-15)23(20(17)28)33-16-9-5-14(26)6-10-16/h3-12H,2H2,1H3,(H,30,31)