ethyl 3-methyl-3-(phenylmethylsulfanyl)butanoate

Systemtic Name: ethyl 3-methyl-3-(phenylmethylsulfanyl)butanoate Openeye Name: ethyl 3-benzylsulfanyl-3-methyl-butanoate CAS Name: 3-methyl-3-(phenylmethylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-3-methylbutanoate Traditional Name: 3-(benzylthio)-3-methyl-butyric acid ethyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-4-16-13(15)10-14(2,3)17-11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3