methyl 2-(4-propan-2-ylphenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-propan-2-ylphenyl)sulfanylethanoate Openeye Name: methyl 2-(4-isopropylphenyl)sulfanylacetate CAS Name: 2-[(4-propan-2-ylphenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-propan-2-ylphenyl)sulfanylacetate Traditional Name: 2-(p-cumenylthio)acetic acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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