ethyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7,8-bis(phenylsulfanyl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7,8-bis(phenylsulfanyl)quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6-fluoro-4-oxo-7,8-bis(phenylsulfanyl)quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7,8-bis(phenylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6-fluoro-4-oxo-7,8-bis(phenylsulfanyl)quinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7,8-bis(phenylthio)quinoline-3-carboxylic acid ethyl ester 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=CC=C3)SC4=CC=CC=C4)F)C(=O)OCC

Isomeric SMILES

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

InChI

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