[(2S)-4-phenylsulfanylbutan-2-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(2S)-4-phenylsulfanylbutan-2-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-methyl-3-phenylsulfanyl-propyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2S)-4-(phenylthio)butan-2-yl] ester IUPAC Name: [(2S)-4-phenylsulfanylbutan-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-3-(phenylthio)propyl] ester Formula: C20H21F3O3S MolecularWeight: 398.43915

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

Isomeric SMILES

C[C@@H](CCSC1=CC=CC=C1)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC

InChI

InChI=1S/C20H21F3O3S/c1-15(13-14-27-17-11-7-4-8-12-17)26-18(24)19(25-2,20(21,22)23)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-,19+/m0/s1