[(2S)-5-phenylsulfanylpentan-2-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(2S)-5-phenylsulfanylpentan-2-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-methyl-4-phenylsulfanyl-butyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2S)-5-(phenylthio)pentan-2-yl] ester IUPAC Name: [(2S)-5-phenylsulfanylpentan-2-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-1-methyl-4-(phenylthio)butyl] ester Formula: C21H23F3O3S MolecularWeight: 412.46573

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCSC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

Isomeric SMILES

C[C@@H](CCCSC1=CC=CC=C1)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC

InChI

InChI=1S/C21H23F3O3S/c1-16(10-9-15-28-18-13-7-4-8-14-18)27-19(25)20(26-2,21(22,23)24)17-11-5-3-6-12-17/h3-8,11-14,16H,9-10,15H2,1-2H3/t16-,20+/m0/s1