ethyl 4-methyl-3-oxidanyl-4-(phenylmethylsulfanyl)pentanoate

Systemtic Name: ethyl 4-methyl-3-oxidanyl-4-(phenylmethylsulfanyl)pentanoate Openeye Name: ethyl 4-benzylsulfanyl-3-hydroxy-4-methyl-pentanoate CAS Name: 3-hydroxy-4-methyl-4-(phenylmethylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-3-hydroxy-4-methylpentanoate Traditional Name: 4-(benzylthio)-3-hydroxy-4-methyl-valeric acid ethyl ester Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3S/c1-4-18-14(17)10-13(16)15(2,3)19-11-12-8-6-5-7-9-12/h5-9,13,16H,4,10-11H2,1-3H3