7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-(3-methyl-1,2-thiazol-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-(3-methyl-1,2-thiazol-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(3-methylisothiazol-4-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(3-methyl-4-isothiazolyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(3-methyl-1,2-thiazol-4-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-4-keto-1-(3-methylisothiazol-4-yl)quinoline-3-carboxylic acid Formula: C18H17FN4O3S MolecularWeight: 388.415983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC=C1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)N)F)C(=O)O

Isomeric SMILES

CC1=NSC=C1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)N)F)C(=O)O

InChI

InChI=1S/C18H17FN4O3S/c1-9-16(8-27-21-9)23-7-12(18(25)26)17(24)11-4-13(19)15(5-14(11)23)22-3-2-10(20)6-22/h4-5,7-8,10H,2-3,6,20H2,1H3,(H,25,26)