tert-butyl 6,7-bis(fluoranyl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: tert-butyl 6,7-bis(fluoranyl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: tert-butyl 6,7-difluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 6,7-difluoro-2-mercapto-4-oxo-1H-quinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6,7-difluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 6,7-difluoro-4-keto-2-mercapto-1H-quinoline-3-carboxylic acid tert-butyl ester Formula: C14H13F2NO3S MolecularWeight: 313.319726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)F)S

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)F)S

InChI

InChI=1S/C14H13F2NO3S/c1-14(2,3)20-13(19)10-11(18)6-4-7(15)8(16)5-9(6)17-12(10)21/h4-5H,1-3H3,(H2,17,18,21)