[(2S,3S,4R)-2-methyl-1-oxidanyl-4-phenylsulfanyl-hexan-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(2S,3S,4R)-2-methyl-1-oxidanyl-4-phenylsulfanyl-hexan-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S,2R)-1-[(1S)-2-hydroxy-1-methyl-ethyl]-2-phenylsulfanyl-butyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2S,3S,4R)-1-hydroxy-2-methyl-4-(phenylthio)hexan-3-yl] ester IUPAC Name: [(2S,3S,4R)-1-hydroxy-2-methyl-4-phenylsulfanylhexan-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S,2R)-1-[(1S)-2-hydroxy-1-methyl-ethyl]-2-(phenylthio)butyl] ester Formula: C23H27F3O4S MolecularWeight: 456.51829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C)CO)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)SC2=CC=CC=C2

Isomeric SMILES

CC[C@H]([C@H]([C@@H](C)CO)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)SC2=CC=CC=C2

InChI

InChI=1S/C23H27F3O4S/c1-4-19(31-18-13-9-6-10-14-18)20(16(2)15-27)30-21(28)22(29-3,23(24,25)26)17-11-7-5-8-12-17/h5-14,16,19-20,27H,4,15H2,1-3H3/t16-,19+,20-,22?/m0/s1