ethyl 6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-(4-fluorophenyl)-4-oxo-7-thiomorpholino-quinoline-3-carboxylate CAS Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-(4-fluorophenyl)-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylate Traditional Name: 6-amino-1-(4-fluorophenyl)-4-keto-7-thiomorpholino-quinoline-3-carboxylic acid ethyl ester Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCSCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCSCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3S/c1-2-29-22(28)17-13-26(15-5-3-14(23)4-6-15)19-12-20(25-7-9-30-10-8-25)18(24)11-16(19)21(17)27/h3-6,11-13H,2,7-10,24H2,1H3