tert-butyl (2S,3R)-2-methyl-3-oxidanyl-3-phenyl-2-(phenylsulfanylmethyl)propanoate

Systemtic Name: tert-butyl (2S,3R)-2-methyl-3-oxidanyl-3-phenyl-2-(phenylsulfanylmethyl)propanoate Openeye Name: tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-phenyl-2-(phenylsulfanylmethyl)propanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-3-phenyl-2-[(phenylthio)methyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-phenyl-2-(phenylsulfanylmethyl)propanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-3-phenyl-2-[(phenylthio)methyl]propionic acid tert-butyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(CSC1=CC=CC=C1)C(C2=CC=CC=C2)O

Isomeric SMILES

C[C@](CSC1=CC=CC=C1)([C@@H](C2=CC=CC=C2)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26O3S/c1-20(2,3)24-19(23)21(4,15-25-17-13-9-6-10-14-17)18(22)16-11-7-5-8-12-16/h5-14,18,22H,15H2,1-4H3/t18-,21+/m1/s1