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

Systemtic Name: methyl (3S)-5-oxidanylidene-3-phenyl-5-(phenylmethylsulfanyl)pentanoate Openeye Name: methyl (3S)-5-benzylsulfanyl-5-oxo-3-phenyl-pentanoate CAS Name: (3S)-5-oxo-3-phenyl-5-(phenylmethylthio)pentanoic acid methyl ester IUPAC Name: methyl (3S)-5-benzylsulfanyl-5-oxo-3-phenylpentanoate Traditional Name: (3S)-5-(benzylthio)-5-keto-3-phenyl-valeric acid methyl ester Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)SCC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@@H](CC(=O)SCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H20O3S/c1-22-18(20)12-17(16-10-6-3-7-11-16)13-19(21)23-14-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-/m0/s1