2-(2-azanylbutylsulfanyl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-(2-azanylbutylsulfanyl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(2-aminobutylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-(2-aminobutylthio)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-(2-aminobutylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(2-aminobutylthio)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18ClFN2O3S MolecularWeight: 384.852823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)Cl)F)C(=O)O)N

Isomeric SMILES

CCC(CSC1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)Cl)F)C(=O)O)N

InChI

InChI=1S/C17H18ClFN2O3S/c1-2-9(20)7-25-16-13(17(23)24)15(22)11-5-8(19)6-12(18)14(11)21(16)10-3-4-10/h5-6,9-10H,2-4,7,20H2,1H3,(H,23,24)