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

Systemtic Name: ethyl 3-methyl-3-oxidanyl-4-(phenylmethylsulfanyl)butanoate Openeye Name: ethyl 4-benzylsulfanyl-3-hydroxy-3-methyl-butanoate CAS Name: 3-hydroxy-3-methyl-4-(phenylmethylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-3-hydroxy-3-methylbutanoate Traditional Name: 4-(benzylthio)-3-hydroxy-3-methyl-butyric acid ethyl ester Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(CSCC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)CC(C)(CSCC1=CC=CC=C1)O

InChI

InChI=1S/C14H20O3S/c1-3-17-13(15)9-14(2,16)11-18-10-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3