ethyl 6,7-bis(fluoranyl)-2-hexylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-hexylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7-difluoro-2-hexylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7-difluoro-2-(hexylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-2-hexylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7-difluoro-2-(hexylthio)-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H21F2NO3S MolecularWeight: 369.426046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=O)C2=CC(=C(C=C2N1)F)F)C(=O)OCC

Isomeric SMILES

CCCCCCSC1=C(C(=O)C2=CC(=C(C=C2N1)F)F)C(=O)OCC

InChI

InChI=1S/C18H21F2NO3S/c1-3-5-6-7-8-25-17-15(18(23)24-4-2)16(22)11-9-12(19)13(20)10-14(11)21-17/h9-10H,3-8H2,1-2H3,(H,21,22)