(2-methyl-3-phenylsulfanyl-but-3-en-2-yl) ethanoate

Systemtic Name: (2-methyl-3-phenylsulfanyl-but-3-en-2-yl) ethanoate Openeye Name: (1,1-dimethyl-2-phenylsulfanyl-allyl) acetate CAS Name: acetic acid [2-methyl-3-(phenylthio)but-3-en-2-yl] ester IUPAC Name: (2-methyl-3-phenylsulfanylbut-3-en-2-yl) acetate Traditional Name: acetic acid [1,1-dimethyl-2-(phenylthio)allyl] ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S/c1-10(13(3,4)15-11(2)14)16-12-8-6-5-7-9-12/h5-9H,1H2,2-4H3