(3S,4R)-3-methoxy-4-methylsulfanyl-1-phenyl-pentan-1-one

Systemtic Name: (3S,4R)-3-methoxy-4-methylsulfanyl-1-phenyl-pentan-1-one Openeye Name: (3S,4R)-3-methoxy-4-methylsulfanyl-1-phenyl-pentan-1-one CAS Name: (3S,4R)-3-methoxy-4-(methylthio)-1-phenyl-1-pentanone IUPAC Name: (3S,4R)-3-methoxy-4-methylsulfanyl-1-phenylpentan-1-one Traditional Name: (3S,4R)-3-methoxy-4-(methylthio)-1-phenyl-pentan-1-one Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-10(16-3)13(15-2)9-12(14)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-,13+/m1/s1