ethyl 2-ethanoyl-3-methyl-3-(phenylmethylsulfanyl)butanoate

Systemtic Name: ethyl 2-ethanoyl-3-methyl-3-(phenylmethylsulfanyl)butanoate Openeye Name: ethyl 2-acetyl-3-benzylsulfanyl-3-methyl-butanoate CAS Name: 2-acetyl-3-methyl-3-(phenylmethylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-benzylsulfanyl-3-methylbutanoate Traditional Name: 2-acetyl-3-(benzylthio)-3-methyl-butyric acid ethyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3S/c1-5-19-15(18)14(12(2)17)16(3,4)20-11-13-9-7-6-8-10-13/h6-10,14H,5,11H2,1-4H3