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

Systemtic Name: 2-(2-azanylethylsulfanyl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(2-aminoethylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-(2-aminoethylthio)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-(2-aminoethylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(2-aminoethylthio)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C15H14ClFN2O3S MolecularWeight: 356.799663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2SCCN)C(=O)O)F)Cl

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2SCCN)C(=O)O)F)Cl

InChI

InChI=1S/C15H14ClFN2O3S/c16-10-6-7(17)5-9-12(10)19(8-1-2-8)14(23-4-3-18)11(13(9)20)15(21)22/h5-6,8H,1-4,18H2,(H,21,22)