S-tert-butyl (E,2S,3S)-2-methyl-3-oxidanyl-5-phenyl-pent-4-enethioate

Systemtic Name: S-tert-butyl (E,2S,3S)-2-methyl-3-oxidanyl-5-phenyl-pent-4-enethioate Openeye Name: S-tert-butyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenyl-pent-4-enethioate CAS Name: (E,2S,3S)-3-hydroxy-2-methyl-5-phenyl-4-pentenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enethioate Traditional Name: (E,2S,3S)-3-hydroxy-2-methyl-5-phenyl-pent-4-enethioic acid S-tert-butyl ester Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=CC1=CC=CC=C1)O)C(=O)SC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22O2S/c1-12(15(18)19-16(2,3)4)14(17)11-10-13-8-6-5-7-9-13/h5-12,14,17H,1-4H3/b11-10+/t12-,14-/m0/s1