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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(pyridin-2-ylamino)ethylamino]-5-sulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(2-pyridylamino)ethylamino]-5-sulfanyl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-5-mercapto-4-oxo-7-[2-(2-pyridinylamino)ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(pyridin-2-ylamino)ethylamino]-5-sulfanylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-5-mercapto-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid Formula: C20H18F2N4O3S MolecularWeight: 432.443726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3S)F)NCCNC4=CC=CC=N4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3S)F)NCCNC4=CC=CC=N4)F)C(=O)O

InChI

InChI=1S/C20H18F2N4O3S/c21-14-16(25-8-7-24-12-3-1-2-6-23-12)15(22)19(30)13-17(14)26(10-4-5-10)9-11(18(13)27)20(28)29/h1-3,6,9-10,25,30H,4-5,7-8H2,(H,23,24)(H,28,29)