methyl (3S)-3-methyl-5-oxidanylidene-5-(phenylmethylsulfanyl)pentanoate

Systemtic Name: methyl (3S)-3-methyl-5-oxidanylidene-5-(phenylmethylsulfanyl)pentanoate Openeye Name: methyl (3S)-5-benzylsulfanyl-3-methyl-5-oxo-pentanoate CAS Name: (3S)-3-methyl-5-oxo-5-(phenylmethylthio)pentanoic acid methyl ester IUPAC Name: methyl (3S)-5-benzylsulfanyl-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-(benzylthio)-5-keto-3-methyl-valeric acid methyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-11(8-13(15)17-2)9-14(16)18-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1