methyl (2S,4R)-2,4-dimethyl-6-oxidanylidene-6-(phenylmethylsulfanyl)hexanoate

Systemtic Name: methyl (2S,4R)-2,4-dimethyl-6-oxidanylidene-6-(phenylmethylsulfanyl)hexanoate Openeye Name: methyl (2S,4R)-6-benzylsulfanyl-2,4-dimethyl-6-oxo-hexanoate CAS Name: (2S,4R)-2,4-dimethyl-6-oxo-6-(phenylmethylthio)hexanoic acid methyl ester IUPAC Name: methyl (2S,4R)-6-benzylsulfanyl-2,4-dimethyl-6-oxohexanoate Traditional Name: (2S,4R)-6-(benzylthio)-6-keto-2,4-dimethyl-hexanoic acid methyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)OC)CC(=O)SCC1=CC=CC=C1

Isomeric SMILES

C[C@H](C[C@H](C)C(=O)OC)CC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S/c1-12(9-13(2)16(18)19-3)10-15(17)20-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3/t12-,13+/m1/s1