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

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-[(methylthio)methyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-[3-[(methylthio)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C19H21F2N3O3S MolecularWeight: 409.450146

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CSCC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C19H21F2N3O3S/c1-28-8-9-4-5-23(6-9)17-13(20)15(22)12-16(14(17)21)24(10-2-3-10)7-11(18(12)25)19(26)27/h7,9-10H,2-6,8,22H2,1H3,(H,26,27)