methyl 3-(2,4-dimethylphenyl)sulfanyl-2-methyl-propanoate

Systemtic Name: methyl 3-(2,4-dimethylphenyl)sulfanyl-2-methyl-propanoate Openeye Name: methyl 3-(2,4-dimethylphenyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[(2,4-dimethylphenyl)thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(2,4-dimethylphenyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(2,4-dimethylphenyl)thio]-2-methyl-propionic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-9-5-6-12(10(2)7-9)16-8-11(3)13(14)15-4/h5-7,11H,8H2,1-4H3