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

Systemtic Name: 1-ethyl-6-fluoranyl-7,8-bis[(4-methylphenyl)sulfanyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7,8-bis(p-tolylsulfanyl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7,8-bis[(4-methylphenyl)thio]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7,8-bis[(4-methylphenyl)sulfanyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7,8-bis(p-tolylthio)quinoline-3-carboxylic acid Formula: C26H22FNO3S2 MolecularWeight: 479.586183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22FNO3S2/c1-4-28-14-20(26(30)31)23(29)19-13-21(27)24(32-17-9-5-15(2)6-10-17)25(22(19)28)33-18-11-7-16(3)8-12-18/h5-14H,4H2,1-3H3,(H,30,31)