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

Systemtic Name: [(2S,3S,4R)-2-methyl-1-oxidanyl-4-phenylsulfanyl-heptan-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-pentyl] 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)heptan-3-yl] ester IUPAC Name: [(2S,3S,4R)-1-hydroxy-2-methyl-4-phenylsulfanylheptan-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)pentyl] ester Formula: C24H29F3O4S MolecularWeight: 470.54487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[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/C24H29F3O4S/c1-4-11-20(32-19-14-9-6-10-15-19)21(17(2)16-28)31-22(29)23(30-3,24(25,26)27)18-12-7-5-8-13-18/h5-10,12-15,17,20-21,28H,4,11,16H2,1-3H3/t17-,20+,21-,23?/m0/s1