(2-methyl-3-phenylsulfanyl-butan-2-yl) ethanoate

Systemtic Name: (2-methyl-3-phenylsulfanyl-butan-2-yl) ethanoate Openeye Name: (1,1-dimethyl-2-phenylsulfanyl-propyl) acetate CAS Name: acetic acid [2-methyl-3-(phenylthio)butan-2-yl] ester IUPAC Name: (2-methyl-3-phenylsulfanylbutan-2-yl) acetate Traditional Name: acetic acid [1,1-dimethyl-2-(phenylthio)propyl] ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)OC(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CC(C(C)(C)OC(=O)C)SC1=CC=CC=C1

InChI

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