ethyl 1-cyclopropyl-8-(ethylsulfanylmethyl)-6-fluoranyl-7-morpholin-4-yl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-8-(ethylsulfanylmethyl)-6-fluoranyl-7-morpholin-4-yl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-(ethylsulfanylmethyl)-6-fluoro-7-morpholino-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-[(ethylthio)methyl]-6-fluoro-7-(4-morpholinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-(ethylsulfanylmethyl)-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-8-[(ethylthio)methyl]-6-fluoro-4-keto-7-morpholino-quinoline-3-carboxylic acid ethyl ester Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCOCC3)CSCC)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCOCC3)CSCC)C4CC4

InChI

InChI=1S/C22H27FN2O4S/c1-3-29-22(27)16-12-25(14-5-6-14)19-15(21(16)26)11-18(23)20(17(19)13-30-4-2)24-7-9-28-10-8-24/h11-12,14H,3-10,13H2,1-2H3