7-(2-azanylethylsulfanyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylethylsulfanyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-aminoethylthio)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminoethylthio)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C15H15FN2O3S MolecularWeight: 322.354603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)SCCN)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)SCCN)F)C(=O)O

InChI

InChI=1S/C15H15FN2O3S/c16-11-5-9-12(6-13(11)22-4-3-17)18(8-1-2-8)7-10(14(9)19)15(20)21/h5-8H,1-4,17H2,(H,20,21)