ethyl (2R,3S,4S)-4-methyl-2-oxidanyl-3-phenylsulfanylcarbonyl-hexanoate

Systemtic Name: ethyl (2R,3S,4S)-4-methyl-2-oxidanyl-3-phenylsulfanylcarbonyl-hexanoate Openeye Name: ethyl (2R,3S,4S)-2-hydroxy-4-methyl-3-phenylsulfanylcarbonyl-hexanoate CAS Name: (2R,3S,4S)-2-hydroxy-4-methyl-3-[oxo-(phenylthio)methyl]hexanoic acid ethyl ester IUPAC Name: ethyl (2R,3S,4S)-2-hydroxy-4-methyl-3-phenylsulfanylcarbonylhexanoate Traditional Name: (2R,3S,4S)-2-hydroxy-4-methyl-3-(phenylthio)carbonyl-hexanoic acid ethyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C(=O)OCC)O)C(=O)SC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4S/c1-4-11(3)13(14(17)15(18)20-5-2)16(19)21-12-9-7-6-8-10-12/h6-11,13-14,17H,4-5H2,1-3H3/t11-,13-,14+/m0/s1