tert-butyl 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(4-methylphenyl)sulfanylethanoate Openeye Name: tert-butyl 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid tert-butyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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