methyl 3-(4-methylsulfanylphenyl)propanoate

Systemtic Name: methyl 3-(4-methylsulfanylphenyl)propanoate Openeye Name: methyl 3-(4-methylsulfanylphenyl)propanoate CAS Name: 3-[4-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfanylphenyl)propanoate Traditional Name: 3-[4-(methylthio)phenyl]propionic acid methyl ester Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)SC

InChI

InChI=1S/C11H14O2S/c1-13-11(12)8-5-9-3-6-10(14-2)7-4-9/h3-4,6-7H,5,8H2,1-2H3