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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(3-mercapto-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-sulfanylpyrrolidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(3-mercaptopyrrolidino)quinoline-3-carboxylic acid Formula: C17H16F2N2O3S MolecularWeight: 366.382346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O3S/c18-12-5-10-14(13(19)15(12)20-4-3-9(25)6-20)21(8-1-2-8)7-11(16(10)22)17(23)24/h5,7-9,25H,1-4,6H2,(H,23,24)