ethyl 2-methyl-2-oxidanyl-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-methyl-2-oxidanyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-hydroxy-2-methyl-propanoate CAS Name: 2-hydroxy-2-methyl-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-hydroxy-2-methylpropanoate Traditional Name: 3-(benzylthio)-2-hydroxy-2-methyl-propionic acid ethyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-3-16-12(14)13(2,15)10-17-9-11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3