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

Systemtic Name: methyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7,8-bis(phenylsulfanyl)quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H20FNO3S2 MolecularWeight: 465.559603

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20FNO3S2/c1-3-27-15-19(25(29)30-2)22(28)18-14-20(26)23(31-16-10-6-4-7-11-16)24(21(18)27)32-17-12-8-5-9-13-17/h4-15H,3H2,1-2H3