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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[3-[(methylthio)methyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-[(methylthio)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C19H20F2N2O3S MolecularWeight: 394.435506

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CSCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H20F2N2O3S/c1-27-9-10-4-5-22(7-10)17-14(20)6-12-16(15(17)21)23(11-2-3-11)8-13(18(12)24)19(25)26/h6,8,10-11H,2-5,7,9H2,1H3,(H,25,26)