1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(pyridin-2-ylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(pyridin-2-ylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(2-pyridylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-[(2-pyridinylthio)methyl]-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(pyridin-2-ylsulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-[(2-pyridylthio)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C23H21F2N3O3S MolecularWeight: 457.492946

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=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)CSC5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C23H21F2N3O3S/c24-17-9-15-20(28(14-4-5-14)11-16(22(15)29)23(30)31)19(25)21(17)27-8-6-13(10-27)12-32-18-3-1-2-7-26-18/h1-3,7,9,11,13-14H,4-6,8,10,12H2,(H,30,31)