[cyano-(3-phenoxyphenyl)methyl] 2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-[3-(difluoromethylsulfanyl)phenyl]-3-methyl-butanoate CAS Name: 2-[3-(difluoromethylthio)phenyl]-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-[3-(difluoromethylsulfanyl)phenyl]-3-methylbutanoate Traditional Name: 2-[3-(difluoromethylthio)phenyl]-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H23F2NO3S MolecularWeight: 467.527526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23F2NO3S/c1-17(2)24(19-9-7-13-22(15-19)33-26(27)28)25(30)32-23(16-29)18-8-6-12-21(14-18)31-20-10-4-3-5-11-20/h3-15,17,23-24,26H,1-2H3