(phenylmethyl) 2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate Openeye Name: benzyl 2-(butylamino)-4-(trifluoromethyl)thiazole-5-carboxylate CAS Name: 2-(butylamino)-4-(trifluoromethyl)-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(butylamino)-4-(trifluoromethyl)thiazole-5-carboxylic acid benzyl ester Formula: C16H17F3N2O2S MolecularWeight: 358.37859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2S/c1-2-3-9-20-15-21-13(16(17,18)19)12(24-15)14(22)23-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,20,21)