ethyl (E,2R,5R)-2,4-dimethyl-5,6-bis(oxidanyl)-2-propanoylsulfanyl-hex-3-enoate

Systemtic Name: ethyl (E,2R,5R)-2,4-dimethyl-5,6-bis(oxidanyl)-2-propanoylsulfanyl-hex-3-enoate Openeye Name: ethyl (E,2R,5R)-5,6-dihydroxy-2,4-dimethyl-2-propanoylsulfanyl-hex-3-enoate CAS Name: (E,2R,5R)-5,6-dihydroxy-2,4-dimethyl-2-(1-oxopropylthio)-3-hexenoic acid ethyl ester IUPAC Name: ethyl (E,2R,5R)-5,6-dihydroxy-2,4-dimethyl-2-propanoylsulfanylhex-3-enoate Traditional Name: (E,2R,5R)-5,6-dihydroxy-2,4-dimethyl-2-(propionylthio)hex-3-enoic acid ethyl ester Formula: C13H22O5S MolecularWeight: 290.37578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)(C=C(C)C(CO)O)C(=O)OCC

Isomeric SMILES

CCC(=O)S[C@](C)(/C=C(\C)/[C@H](CO)O)C(=O)OCC

InChI

InChI=1S/C13H22O5S/c1-5-11(16)19-13(4,12(17)18-6-2)7-9(3)10(15)8-14/h7,10,14-15H,5-6,8H2,1-4H3/b9-7+/t10-,13+/m0/s1