1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-5-phenylsulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-5-phenylsulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-5-phenylsulfanyl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-5-(phenylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxo-5-phenylsulfanylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-5-(phenylthio)quinoline-3-carboxylic acid Formula: C26H20F2N2O3S MolecularWeight: 478.510406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C3=C(C(=C2F)SC4=CC=CC=C4)C(=O)C(=CN3C5CC5)C(=O)O)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C3=C(C(=C2F)SC4=CC=CC=C4)C(=O)C(=CN3C5CC5)C(=O)O)F

InChI

InChI=1S/C26H20F2N2O3S/c1-13-10-15(11-14(2)29-13)19-21(27)23-20(25(22(19)28)34-17-6-4-3-5-7-17)24(31)18(26(32)33)12-30(23)16-8-9-16/h3-7,10-12,16H,8-9H2,1-2H3,(H,32,33)