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

Systemtic Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-2-phenyl-thiazole-5-carboxylate CAS Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]thio]methyl]-2-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]thio]methyl]-2-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H15F6NO2S2 MolecularWeight: 491.469719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)CSC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)CSC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H15F6NO2S2/c1-2-30-19(29)17-16(28-18(32-17)12-6-4-3-5-7-12)11-31-15-9-13(20(22,23)24)8-14(10-15)21(25,26)27/h3-10H,2,11H2,1H3