ethyl 3-methyl-3-phenylsulfanyl-butanoate

Systemtic Name: ethyl 3-methyl-3-phenylsulfanyl-butanoate Openeye Name: ethyl 3-methyl-3-phenylsulfanyl-butanoate CAS Name: 3-methyl-3-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-3-phenylsulfanylbutanoate Traditional Name: 3-methyl-3-(phenylthio)butyric acid ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(C)(C)SC1=CC=CC=C1

InChI

InChI=1S/C13H18O2S/c1-4-15-12(14)10-13(2,3)16-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3