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

Systemtic Name: ethyl 7-(4-azanylcyclohexyl)-1-cyclopropyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-aminocyclohexyl)-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-(4-aminocyclohexyl)-1-cyclopropyl-6-fluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-aminocyclohexyl)-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-aminocyclohexyl)-1-cyclopropyl-6-fluoro-4-keto-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)C3CCC(CC3)N)C4CC4)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)C3CCC(CC3)N)C4CC4)SC

InChI

InChI=1S/C22H27FN2O3S/c1-3-28-22(27)19-20(26)16-10-17(23)15(12-4-6-13(24)7-5-12)11-18(16)25(14-8-9-14)21(19)29-2/h10-14H,3-9,24H2,1-2H3