ethyl 8-bromanyl-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 8-bromanyl-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxo-2-phenylsulfanyl-quinoline-3-carboxylate CAS Name: 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxo-2-(phenylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxo-2-phenylsulfanylquinoline-3-carboxylate Traditional Name: 8-bromo-1-cyclopropyl-6,7-difluoro-4-keto-2-(phenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C21H16BrF2NO3S MolecularWeight: 480.322446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)Br)C3CC3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)Br)C3CC3)SC4=CC=CC=C4

InChI

InChI=1S/C21H16BrF2NO3S/c1-2-28-21(27)15-19(26)13-10-14(23)17(24)16(22)18(13)25(11-8-9-11)20(15)29-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3