S-tert-butyl (3S)-3-[(2S,3R)-2,4-dimethyl-1-oxidanyl-pentan-3-yl]oxy-3-phenyl-propanethioate

Systemtic Name: S-tert-butyl (3S)-3-[(2S,3R)-2,4-dimethyl-1-oxidanyl-pentan-3-yl]oxy-3-phenyl-propanethioate Openeye Name: S-tert-butyl (3S)-3-[(1R,2S)-3-hydroxy-1-isopropyl-2-methyl-propoxy]-3-phenyl-propanethioate CAS Name: (3S)-3-[(2S,3R)-1-hydroxy-2,4-dimethylpentan-3-yl]oxy-3-phenylpropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S)-3-[(2S,3R)-1-hydroxy-2,4-dimethylpentan-3-yl]oxy-3-phenylpropanethioate Traditional Name: (3S)-3-[(1R,2S)-3-hydroxy-1-isopropyl-2-methyl-propoxy]-3-phenyl-propanethioic acid S-tert-butyl ester Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)CO)OC(CC(=O)SC(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C20H32O3S/c1-14(2)19(15(3)13-21)23-17(16-10-8-7-9-11-16)12-18(22)24-20(4,5)6/h7-11,14-15,17,19,21H,12-13H2,1-6H3/t15-,17-,19+/m0/s1