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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(sulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(sulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[3-(mercaptomethyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(sulfanylmethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(mercaptomethyl)pyrrolidino]quinoline-3-carboxylic acid Formula: C18H18F2N2O3S MolecularWeight: 380.408926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O3S/c19-13-5-11-15(14(20)16(13)21-4-3-9(6-21)8-26)22(10-1-2-10)7-12(17(11)23)18(24)25/h5,7,9-10,26H,1-4,6,8H2,(H,24,25)