ethyl 4-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate CAS Name: 4-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester Formula: C22H20F3NO2S MolecularWeight: 419.45991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)C(F)(F)F)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)C(F)(F)F)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H20F3NO2S/c1-2-28-21(27)19-18(10-6-9-15-7-4-3-5-8-15)26-20(29-19)16-11-13-17(14-12-16)22(23,24)25/h3-5,7-8,11-14H,2,6,9-10H2,1H3