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

Systemtic Name: methyl (2R,3R)-4-ethylsulfanyl-2-methyl-2-oxidanyl-4-oxidanylidene-3-phenylmethoxy-butanoate Openeye Name: methyl (2R,3R)-3-benzyloxy-4-ethylsulfanyl-2-hydroxy-2-methyl-4-oxo-butanoate CAS Name: (2R,3R)-4-(ethylthio)-2-hydroxy-2-methyl-4-oxo-3-phenylmethoxybutanoic acid methyl ester IUPAC Name: methyl (2R,3R)-4-ethylsulfanyl-2-hydroxy-2-methyl-4-oxo-3-phenylmethoxybutanoate Traditional Name: (2R,3R)-3-benzoxy-4-(ethylthio)-2-hydroxy-4-keto-2-methyl-butyric acid methyl ester Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(C(C)(C(=O)OC)O)OCC1=CC=CC=C1

Isomeric SMILES

CCSC(=O)[C@@H]([C@](C)(C(=O)OC)O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H20O5S/c1-4-21-13(16)12(15(2,18)14(17)19-3)20-10-11-8-6-5-7-9-11/h5-9,12,18H,4,10H2,1-3H3/t12-,15+/m0/s1