ethyl (2S,3S)-3-ethylsulfanylcarbonyl-2,5-dimethyl-2-oxidanyl-hexanoate

Systemtic Name: ethyl (2S,3S)-3-ethylsulfanylcarbonyl-2,5-dimethyl-2-oxidanyl-hexanoate Openeye Name: ethyl (2S,3S)-3-ethylsulfanylcarbonyl-2-hydroxy-2,5-dimethyl-hexanoate CAS Name: (2S,3S)-3-[(ethylthio)-oxomethyl]-2-hydroxy-2,5-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-ethylsulfanylcarbonyl-2-hydroxy-2,5-dimethylhexanoate Traditional Name: (2S,3S)-3-(ethylthio)carbonyl-2-hydroxy-2,5-dimethyl-hexanoic acid ethyl ester Formula: C13H24O4S MolecularWeight: 276.39226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(CC(C)C)C(=O)SCC)O

Isomeric SMILES

CCOC(=O)[C@](C)([C@H](CC(C)C)C(=O)SCC)O

InChI

InChI=1S/C13H24O4S/c1-6-17-12(15)13(5,16)10(8-9(3)4)11(14)18-7-2/h9-10,16H,6-8H2,1-5H3/t10-,13+/m1/s1