8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-(3-mercapto-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(3-mercaptopyrrolidino)quinoline-3-carboxylic acid Formula: C17H16ClFN2O3S MolecularWeight: 382.836943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)S)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)S)F)C(=O)O

InChI

InChI=1S/C17H16ClFN2O3S/c18-13-14-10(5-12(19)15(13)20-4-3-9(25)6-20)16(22)11(17(23)24)7-21(14)8-1-2-8/h5,7-9,25H,1-4,6H2,(H,23,24)