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

Systemtic Name: ethyl 2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate Traditional Name: 2-keto-4-[4-(2-thenoyl)piperazino]-1-[4-(trifluoromethyl)benzyl]quinoline-3-carboxylic acid ethyl ester Formula: C29H26F3N3O4S MolecularWeight: 569.59465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C(F)(F)F)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C(F)(F)F)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H26F3N3O4S/c1-2-39-28(38)24-25(33-13-15-34(16-14-33)26(36)23-8-5-17-40-23)21-6-3-4-7-22(21)35(27(24)37)18-19-9-11-20(12-10-19)29(30,31)32/h3-12,17H,2,13-16,18H2,1H3