4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-butyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid CAS Name: 4-butyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-butyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid Formula: C15H14F3NO2S MolecularWeight: 329.33737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H14F3NO2S/c1-2-3-4-11-12(14(20)21)22-13(19-11)9-5-7-10(8-6-9)15(16,17)18/h5-8H,2-4H2,1H3,(H,20,21)