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

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-(2-fluoranylethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7-difluoro-2-(2-fluoroethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7-difluoro-2-(2-fluoroethylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-2-(2-fluoroethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7-difluoro-2-(2-fluoroethylthio)-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)F)SCCF

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)F)SCCF

InChI

InChI=1S/C14H12F3NO3S/c1-2-21-14(20)11-12(19)7-5-8(16)9(17)6-10(7)18-13(11)22-4-3-15/h5-6H,2-4H2,1H3,(H,18,19)