methyl 2-methylsulfanyl-3-oxidanyl-5-phenyl-pentanoate

Systemtic Name: methyl 2-methylsulfanyl-3-oxidanyl-5-phenyl-pentanoate Openeye Name: methyl 3-hydroxy-2-methylsulfanyl-5-phenyl-pentanoate CAS Name: 3-hydroxy-2-(methylthio)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-methylsulfanyl-5-phenylpentanoate Traditional Name: 3-hydroxy-2-(methylthio)-5-phenyl-valeric acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CCC1=CC=CC=C1)O)SC

Isomeric SMILES

COC(=O)C(C(CCC1=CC=CC=C1)O)SC

InChI

InChI=1S/C13H18O3S/c1-16-13(15)12(17-2)11(14)9-8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3