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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-[(phenylthio)methyl]-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-[(phenylthio)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C24H22F2N2O3S MolecularWeight: 456.504886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)CSC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)CSC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H22F2N2O3S/c25-19-10-17-21(28(15-6-7-15)12-18(23(17)29)24(30)31)20(26)22(19)27-9-8-14(11-27)13-32-16-4-2-1-3-5-16/h1-5,10,12,14-15H,6-9,11,13H2,(H,30,31)