2,7-bis(fluoranyl)-1-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

Systemtic Name: 2,7-bis(fluoranyl)-1-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid Openeye Name: 2,7-difluoro-1-methyl-8-(4-methylpiperazin-1-yl)-5-oxo-thiazolo[3,2-a]quinoline-4-carboxylic acid CAS Name: 2,7-difluoro-1-methyl-8-(4-methyl-1-piperazinyl)-5-oxo-4-thiazolo[3,2-a]quinolinecarboxylic acid IUPAC Name: 2,7-difluoro-1-methyl-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid Traditional Name: 2,7-difluoro-5-keto-1-methyl-8-(4-methylpiperazino)thiazolo[3,2-a]quinoline-4-carboxylic acid Formula: C18H17F2N3O3S MolecularWeight: 393.407686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCN(CC4)C)F)C(=O)O)F

Isomeric SMILES

CC1=C(SC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCN(CC4)C)F)C(=O)O)F

InChI

InChI=1S/C18H17F2N3O3S/c1-9-16(20)27-17-14(18(25)26)15(24)10-7-11(19)13(8-12(10)23(9)17)22-5-3-21(2)4-6-22/h7-8H,3-6H2,1-2H3,(H,25,26)