[(2S)-1,1,1-tris(fluoranyl)-3-phenylsulfanyl-propan-2-yl] propanoate

Systemtic Name: [(2S)-1,1,1-tris(fluoranyl)-3-phenylsulfanyl-propan-2-yl] propanoate Openeye Name: [(1S)-2,2,2-trifluoro-1-(phenylsulfanylmethyl)ethyl] propanoate CAS Name: propanoic acid [(2S)-1,1,1-trifluoro-3-(phenylthio)propan-2-yl] ester IUPAC Name: [(2S)-1,1,1-trifluoro-3-phenylsulfanylpropan-2-yl] propanoate Traditional Name: propionic acid [(1S)-2,2,2-trifluoro-1-[(phenylthio)methyl]ethyl] ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CSC1=CC=CC=C1)C(F)(F)F

Isomeric SMILES

CCC(=O)O[C@H](CSC1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O2S/c1-2-11(16)17-10(12(13,14)15)8-18-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1