S-tert-butyl (2S,3R,4R)-2,4-dimethyl-3-oxidanyl-5-phenylmethoxy-pentanethioate

Systemtic Name: S-tert-butyl (2S,3R,4R)-2,4-dimethyl-3-oxidanyl-5-phenylmethoxy-pentanethioate Openeye Name: S-tert-butyl (2S,3R,4R)-5-benzyloxy-3-hydroxy-2,4-dimethyl-pentanethioate CAS Name: (2S,3R,4R)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2S,3R,4R)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanethioate Traditional Name: (2S,3R,4R)-5-benzoxy-3-hydroxy-2,4-dimethyl-pentanethioic acid S-tert-butyl ester Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(C(C)C(=O)SC(C)(C)C)O

Isomeric SMILES

C[C@H](COCC1=CC=CC=C1)[C@H]([C@H](C)C(=O)SC(C)(C)C)O

InChI

InChI=1S/C18H28O3S/c1-13(11-21-12-15-9-7-6-8-10-15)16(19)14(2)17(20)22-18(3,4)5/h6-10,13-14,16,19H,11-12H2,1-5H3/t13-,14+,16-/m1/s1