1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl butanoate

Systemtic Name: 1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl butanoate Openeye Name: 1-[4-oxo-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl butanoate CAS Name: butanoic acid 1-[4-oxo-3-[oxo-(2-thiazolylamino)methyl]-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester IUPAC Name: 1-[4-oxo-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl butanoate Traditional Name: butyric acid 1-[4-keto-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CC)C1=C(C(=O)C2=C(N1)C(=CC=C2)C(F)(F)F)C(=O)NC3=NC=CS3

Isomeric SMILES

CCCC(=O)OC(CC)C1=C(C(=O)C2=C(N1)C(=CC=C2)C(F)(F)F)C(=O)NC3=NC=CS3

InChI

InChI=1S/C21H20F3N3O4S/c1-3-6-14(28)31-13(4-2)17-15(19(30)27-20-25-9-10-32-20)18(29)11-7-5-8-12(16(11)26-17)21(22,23)24/h5,7-10,13H,3-4,6H2,1-2H3,(H,26,29)(H,25,27,30)