1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6,8-difluoro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,8-difluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C25H22F2N4O4S MolecularWeight: 512.528386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCSCC5)F)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCSCC5)F)C(=O)O

InChI

InChI=1S/C25H22F2N4O4S/c1-14-20(24(33)31(28(14)2)15-6-4-3-5-7-15)30-13-17(25(34)35)23(32)16-12-18(26)22(19(27)21(16)30)29-8-10-36-11-9-29/h3-7,12-13H,8-11H2,1-2H3,(H,34,35)