methyl 2-[4-(2-methylpropyl)phenyl]-2-methylsulfanyl-ethanoate

Systemtic Name: methyl 2-[4-(2-methylpropyl)phenyl]-2-methylsulfanyl-ethanoate Openeye Name: methyl 2-(4-isobutylphenyl)-2-methylsulfanyl-acetate CAS Name: 2-[4-(2-methylpropyl)phenyl]-2-(methylthio)acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpropyl)phenyl]-2-methylsulfanylacetate Traditional Name: 2-(4-isobutylphenyl)-2-(methylthio)acetic acid methyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-10(2)9-11-5-7-12(8-6-11)13(17-4)14(15)16-3/h5-8,10,13H,9H2,1-4H3