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

Systemtic Name: 3-cyanopropyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 3-cyanopropyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid 3-cyanopropyl ester Formula: C16H13F3N2O2S MolecularWeight: 354.34683

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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)OCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O2S/c1-10-13(15(22)23-9-3-2-8-20)24-14(21-10)11-4-6-12(7-5-11)16(17,18)19/h4-7H,2-3,9H2,1H3