1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(4-methylphenyl)sulfanylazetidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(4-methylphenyl)sulfanylazetidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(p-tolylsulfanyl)azetidin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[3-[(4-methylphenyl)thio]-1-azetidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[3-(4-methylphenyl)sulfanylazetidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(p-tolylthio)azetidin-1-yl]quinoline-3-carboxylic acid Formula: C23H20F2N2O3S MolecularWeight: 442.478306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C23H20F2N2O3S/c1-12-2-6-14(7-3-12)31-15-9-26(10-15)21-18(24)8-16-20(19(21)25)27(13-4-5-13)11-17(22(16)28)23(29)30/h2-3,6-8,11,13,15H,4-5,9-10H2,1H3,(H,29,30)