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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]butanoate CAS Name: 3-methyl-2-[4-(trifluoromethylthio)phenyl]butanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]butanoate Traditional Name: 3-methyl-2-[4-(trifluoromethylthio)phenyl]butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H22F3NO3S MolecularWeight: 485.51799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(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/C26H22F3NO3S/c1-17(2)24(18-11-13-22(14-12-18)34-26(27,28)29)25(31)33-23(16-30)19-7-6-10-21(15-19)32-20-8-4-3-5-9-20/h3-15,17,23-24H,1-2H3