(3-methyl-2-phenylsulfanyl-butyl) ethanoate

Systemtic Name: (3-methyl-2-phenylsulfanyl-butyl) ethanoate Openeye Name: (3-methyl-2-phenylsulfanyl-butyl) acetate CAS Name: acetic acid [3-methyl-2-(phenylthio)butyl] ester IUPAC Name: (3-methyl-2-phenylsulfanylbutyl) acetate Traditional Name: acetic acid [3-methyl-2-(phenylthio)butyl] ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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