methyl 3-(4-propan-2-ylphenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-propan-2-ylphenyl)sulfanylpropanoate Openeye Name: methyl 3-(4-isopropylphenyl)sulfanylpropanoate CAS Name: 3-[(4-propan-2-ylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-propan-2-ylphenyl)sulfanylpropanoate Traditional Name: 3-(p-cumenylthio)propionic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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