ethyl 7-(3-azanylcyclopentyl)-1-cyclopropyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(3-azanylcyclopentyl)-1-cyclopropyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-keto-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)C3CCC(C3)N)C4CC4)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)C3CCC(C3)N)C4CC4)SC

InChI

InChI=1S/C21H25FN2O3S/c1-3-27-21(26)18-19(25)15-9-16(22)14(11-4-5-12(23)8-11)10-17(15)24(13-6-7-13)20(18)28-2/h9-13H,3-8,23H2,1-2H3