ethyl 2-ethylsulfanyl-5,6-bis(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-ethylsulfanyl-5,6-bis(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-ethylsulfanyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-(ethylthio)-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethylsulfanyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-(ethylthio)-5,6-difluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C14H13F2NO3S MolecularWeight: 313.319726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C(=C(C=C2)F)F)SCC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C(=C(C=C2)F)F)SCC

InChI

InChI=1S/C14H13F2NO3S/c1-3-20-14(19)10-12(18)9-8(17-13(10)21-4-2)6-5-7(15)11(9)16/h5-6H,3-4H2,1-2H3,(H,17,18)