methyl 2-methyl-3-phenethylsulfanyl-propanoate

Systemtic Name: methyl 2-methyl-3-phenethylsulfanyl-propanoate Openeye Name: methyl 2-methyl-3-phenethylsulfanyl-propanoate CAS Name: 2-methyl-3-(phenethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-phenethylsulfanylpropanoate Traditional Name: 2-methyl-3-(phenethylthio)propionic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(CSCCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C13H18O2S/c1-11(13(14)15-2)10-16-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3