methyl 2-methyl-3-(4-methylphenyl)sulfanyl-propanoate

Systemtic Name: methyl 2-methyl-3-(4-methylphenyl)sulfanyl-propanoate Openeye Name: methyl 2-methyl-3-(p-tolylsulfanyl)propanoate CAS Name: 2-methyl-3-[(4-methylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 2-methyl-3-(p-tolylthio)propionic acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C)C(=O)OC

InChI

InChI=1S/C12H16O2S/c1-9-4-6-11(7-5-9)15-8-10(2)12(13)14-3/h4-7,10H,8H2,1-3H3