1-cyclopropyl-6,8-bis(fluoranyl)-5-methylsulfanyl-4-oxidanylidene-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-5-methylsulfanyl-4-oxidanylidene-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-5-methylsulfanyl-4-oxo-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-5-(methylthio)-4-oxo-7-[2-(2-pyridinylamino)ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-5-methylsulfanyl-4-oxo-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-5-(methylthio)-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid Formula: C21H20F2N4O3S MolecularWeight: 446.470306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)F)NCCNC4=CC=CC=N4)F

Isomeric SMILES

CSC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)F)NCCNC4=CC=CC=N4)F

InChI

InChI=1S/C21H20F2N4O3S/c1-31-20-14-18(27(11-5-6-11)10-12(19(14)28)21(29)30)15(22)17(16(20)23)26-9-8-25-13-4-2-3-7-24-13/h2-4,7,10-11,26H,5-6,8-9H2,1H3,(H,24,25)(H,29,30)