S-phenyl (2S,3R)-3-cyclohexyl-3-oxidanyl-2-(phenylsulfanylmethyl)propanethioate

Systemtic Name: S-phenyl (2S,3R)-3-cyclohexyl-3-oxidanyl-2-(phenylsulfanylmethyl)propanethioate Openeye Name: S-phenyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-(phenylsulfanylmethyl)propanethioate CAS Name: (2S,3R)-3-cyclohexyl-3-hydroxy-2-[(phenylthio)methyl]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-(phenylsulfanylmethyl)propanethioate Traditional Name: (2S,3R)-3-cyclohexyl-3-hydroxy-2-[(phenylthio)methyl]propanethioic acid S-phenyl ester Formula: C22H26O2S2 MolecularWeight: 386.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(CSC2=CC=CC=C2)C(=O)SC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)[C@H]([C@@H](CSC2=CC=CC=C2)C(=O)SC3=CC=CC=C3)O

InChI

InChI=1S/C22H26O2S2/c23-21(17-10-4-1-5-11-17)20(16-25-18-12-6-2-7-13-18)22(24)26-19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-21,23H,1,4-5,10-11,16H2/t20-,21-/m1/s1