(3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethyl)thiophen-2-yl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethyl)thiophen-2-yl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethyl)-2-thienyl]butanoate CAS Name: 2-cyano-3-methyl-2-[4-(trifluoromethyl)-2-thiophenyl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethyl)thiophen-2-yl]butanoate Traditional Name: 2-cyano-3-methyl-2-[4-(trifluoromethyl)-2-thienyl]butyric acid (3-phenoxybenzyl) ester Formula: C24H20F3NO3S MolecularWeight: 459.48071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC(=CS1)C(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C#N)(C1=CC(=CS1)C(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H20F3NO3S/c1-16(2)23(15-28,21-12-18(14-32-21)24(25,26)27)22(29)30-13-17-7-6-10-20(11-17)31-19-8-4-3-5-9-19/h3-12,14,16H,13H2,1-2H3