ethyl 2-methyl-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 2-methyl-4-phenylsulfanyl-butanoate Openeye Name: ethyl 2-methyl-4-phenylsulfanyl-butanoate CAS Name: 2-methyl-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-phenylsulfanylbutanoate Traditional Name: 2-methyl-4-(phenylthio)butyric acid ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCSC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C)CCSC1=CC=CC=C1

InChI

InChI=1S/C13H18O2S/c1-3-15-13(14)11(2)9-10-16-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3