1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7,8-bis(phenylsulfanyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7,8-bis(phenylsulfanyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7,8-bis(phenylsulfanyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7,8-bis(phenylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7,8-bis(phenylsulfanyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7,8-bis(phenylthio)quinoline-3-carboxylic acid Formula: C25H18FNO3S2 MolecularWeight: 463.543723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)SC4=CC=CC=C4)SC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)SC4=CC=CC=C4)SC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C25H18FNO3S2/c26-20-13-18-21(27(15-11-12-15)14-19(22(18)28)25(29)30)24(32-17-9-5-2-6-10-17)23(20)31-16-7-3-1-4-8-16/h1-10,13-15H,11-12H2,(H,29,30)