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

Systemtic Name: 1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl dodecanoate Openeye Name: 1-[4-oxo-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl dodecanoate CAS Name: dodecanoic 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 dodecanoate Traditional Name: lauric acid 1-[4-keto-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester Formula: C29H36F3N3O4S MolecularWeight: 579.67405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=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/C29H36F3N3O4S/c1-3-5-6-7-8-9-10-11-12-16-22(36)39-21(4-2)25-23(27(38)35-28-33-17-18-40-28)26(37)19-14-13-15-20(24(19)34-25)29(30,31)32/h13-15,17-18,21H,3-12,16H2,1-2H3,(H,34,37)(H,33,35,38)