ethyl (2S,3R)-5-methyl-2-oxidanyl-3-phenylsulfanylcarbonyl-hexanoate

Systemtic Name: ethyl (2S,3R)-5-methyl-2-oxidanyl-3-phenylsulfanylcarbonyl-hexanoate Openeye Name: ethyl (2S,3R)-2-hydroxy-5-methyl-3-phenylsulfanylcarbonyl-hexanoate CAS Name: (2S,3R)-2-hydroxy-5-methyl-3-[oxo-(phenylthio)methyl]hexanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-hydroxy-5-methyl-3-phenylsulfanylcarbonylhexanoate Traditional Name: (2S,3R)-2-hydroxy-5-methyl-3-(phenylthio)carbonyl-hexanoic acid ethyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(C)C)C(=O)SC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](CC(C)C)C(=O)SC1=CC=CC=C1)O

InChI

InChI=1S/C16H22O4S/c1-4-20-15(18)14(17)13(10-11(2)3)16(19)21-12-8-6-5-7-9-12/h5-9,11,13-14,17H,4,10H2,1-3H3/t13-,14+/m1/s1