ethyl 2-[[pentyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[pentyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[pentyl-[3-(trifluoromethyl)benzoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[oxo-[3-(trifluoromethyl)phenyl]methyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[pentyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[3-(trifluoromethyl)benzoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23F3N2O3S MolecularWeight: 428.46843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3S/c1-3-5-6-10-25(12-17-24-16(13-29-17)19(27)28-4-2)18(26)14-8-7-9-15(11-14)20(21,22)23/h7-9,11,13H,3-6,10,12H2,1-2H3