S-tert-butyl (2S)-2-[(1R)-1-oxidanylprop-2-ynyl]hexanethioate

Systemtic Name: S-tert-butyl (2S)-2-[(1R)-1-oxidanylprop-2-ynyl]hexanethioate Openeye Name: S-tert-butyl (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]hexanethioate CAS Name: (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]hexanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]hexanethioate Traditional Name: (2S,3R)-2-butyl-3-hydroxy-pent-4-ynethioic acid S-tert-butyl ester Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#C)O)C(=O)SC(C)(C)C

Isomeric SMILES

CCCC[C@@H]([C@H](C#C)O)C(=O)SC(C)(C)C

InChI

InChI=1S/C13H22O2S/c1-6-8-9-10(11(14)7-2)12(15)16-13(3,4)5/h2,10-11,14H,6,8-9H2,1,3-5H3/t10-,11-/m0/s1