ethyl 1-methyl-2-oxidanylidene-4-[4-[5-(trifluoromethyl)thiophen-2-yl]carbonylpiperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-[4-[5-(trifluoromethyl)thiophen-2-yl]carbonylpiperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo-[5-(trifluoromethyl)-2-thiophenyl]methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C23H22F3N3O4S MolecularWeight: 493.49869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=CC=C(S4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=CC=C(S4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O4S/c1-3-33-22(32)18-19(14-6-4-5-7-15(14)27(2)21(18)31)28-10-12-29(13-11-28)20(30)16-8-9-17(34-16)23(24,25)26/h4-9H,3,10-13H2,1-2H3