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

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-(methoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7-difluoro-2-(methoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7-difluoro-2-(methoxymethylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-2-(methoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7-difluoro-4-keto-2-(methoxymethylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C14H13F2NO4S MolecularWeight: 329.319126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F2NO4S/c1-3-21-14(19)11-12(18)7-4-8(15)9(16)5-10(7)17-13(11)22-6-20-2/h4-5H,3,6H2,1-2H3,(H,17,18)