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

Systemtic Name: 1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl propanoate Openeye Name: 1-[4-oxo-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 1-[4-keto-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O4S/c1-3-12(30-13(27)4-2)16-14(18(29)26-19-24-8-9-31-19)17(28)10-6-5-7-11(15(10)25-16)20(21,22)23/h5-9,12H,3-4H2,1-2H3,(H,25,28)(H,24,26,29)