phenethyl 2-methylsulfanylbutanoate

Systemtic Name: phenethyl 2-methylsulfanylbutanoate Openeye Name: phenethyl 2-methylsulfanylbutanoate CAS Name: 2-(methylthio)butanoic acid phenethyl ester IUPAC Name: phenethyl 2-methylsulfanylbutanoate Traditional Name: 2-(methylthio)butyric acid phenethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCCC1=CC=CC=C1)SC

Isomeric SMILES

CCC(C(=O)OCCC1=CC=CC=C1)SC

InChI

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