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

Systemtic Name: S-tert-butyl (3S)-3-[(2S,3R)-2,4-dimethyl-1-oxidanyl-pentan-3-yl]oxy-3-(4-methoxyphenyl)propanethioate Openeye Name: S-tert-butyl (3S)-3-[(1R,2S)-3-hydroxy-1-isopropyl-2-methyl-propoxy]-3-(4-methoxyphenyl)propanethioate CAS Name: (3S)-3-[(2S,3R)-1-hydroxy-2,4-dimethylpentan-3-yl]oxy-3-(4-methoxyphenyl)propanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S)-3-[(2S,3R)-1-hydroxy-2,4-dimethylpentan-3-yl]oxy-3-(4-methoxyphenyl)propanethioate Traditional Name: (3S)-3-[(1R,2S)-3-hydroxy-1-isopropyl-2-methyl-propoxy]-3-(4-methoxyphenyl)propanethioic acid S-tert-butyl ester Formula: C21H34O4S MolecularWeight: 382.55726

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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=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4S/c1-14(2)20(15(3)13-22)25-18(12-19(23)26-21(4,5)6)16-8-10-17(24-7)11-9-16/h8-11,14-15,18,20,22H,12-13H2,1-7H3/t15-,18-,20+/m0/s1