tert-butyl (2S,3R)-3-(4-chlorophenyl)-2-methyl-3-oxidanyl-2-(phenylsulfanylmethyl)propanoate

Systemtic Name: tert-butyl (2S,3R)-3-(4-chlorophenyl)-2-methyl-3-oxidanyl-2-(phenylsulfanylmethyl)propanoate Openeye Name: tert-butyl (2S,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-2-(phenylsulfanylmethyl)propanoate CAS Name: (2S,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-2-[(phenylthio)methyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-2-(phenylsulfanylmethyl)propanoate Traditional Name: (2S,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-2-[(phenylthio)methyl]propionic acid tert-butyl ester Formula: C21H25ClO3S MolecularWeight: 392.9394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClO3S/c1-20(2,3)25-19(24)21(4,14-26-17-8-6-5-7-9-17)18(23)15-10-12-16(22)13-11-15/h5-13,18,23H,14H2,1-4H3/t18-,21+/m1/s1