[cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfanyl)phenyl]butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfanyl)phenyl]butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfanyl)phenyl]butanoate CAS Name: 2-[4-(trifluoromethylthio)phenyl]butanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfanyl)phenyl]butanoate Traditional Name: 2-[4-(trifluoromethylthio)phenyl]butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H20F3NO3S MolecularWeight: 471.49141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)SC(F)(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=C(C=C1)SC(F)(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H20F3NO3S/c1-2-22(17-11-13-21(14-12-17)33-25(26,27)28)24(30)32-23(16-29)18-7-6-10-20(15-18)31-19-8-4-3-5-9-19/h3-15,22-23H,2H2,1H3