1-cyanoethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 1-cyanoethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 1-cyanoethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid 1-cyanoethyl ester Formula: C15H11F3N2O2S MolecularWeight: 340.32025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC(C)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC(C)C#N

InChI

InChI=1S/C15H11F3N2O2S/c1-8(7-19)22-14(21)12-9(2)20-13(23-12)10-3-5-11(6-4-10)15(16,17)18/h3-6,8H,1-2H3