1-cyclopropyl-6-fluoranyl-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-[(methylthio)methyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-[(methylthio)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C19H21FN2O3S MolecularWeight: 376.445043

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CSCC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H21FN2O3S/c1-26-10-11-4-5-21(8-11)17-7-16-13(6-15(17)20)18(23)14(19(24)25)9-22(16)12-2-3-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,24,25)