ethyl (2S,3R)-4-ethylsulfanyl-2-methyl-2-oxidanyl-4-oxidanylidene-3-phenylmethoxy-butanoate

Systemtic Name: ethyl (2S,3R)-4-ethylsulfanyl-2-methyl-2-oxidanyl-4-oxidanylidene-3-phenylmethoxy-butanoate Openeye Name: ethyl (2S,3R)-3-benzyloxy-4-ethylsulfanyl-2-hydroxy-2-methyl-4-oxo-butanoate CAS Name: (2S,3R)-4-(ethylthio)-2-hydroxy-2-methyl-4-oxo-3-phenylmethoxybutanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-4-ethylsulfanyl-2-hydroxy-2-methyl-4-oxo-3-phenylmethoxybutanoate Traditional Name: (2S,3R)-3-benzoxy-4-(ethylthio)-2-hydroxy-4-keto-2-methyl-butyric acid ethyl ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(C(=O)SCC)OCC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)[C@](C)([C@H](C(=O)SCC)OCC1=CC=CC=C1)O

InChI

InChI=1S/C16H22O5S/c1-4-20-15(18)16(3,19)13(14(17)22-5-2)21-11-12-9-7-6-8-10-12/h6-10,13,19H,4-5,11H2,1-3H3/t13-,16-/m0/s1