(2-methyl-3-phenylsulfanyl-penta-3,4-dien-2-yl) ethanoate

Systemtic Name: (2-methyl-3-phenylsulfanyl-penta-3,4-dien-2-yl) ethanoate Openeye Name: (1,1-dimethyl-2-phenylsulfanyl-buta-2,3-dienyl) acetate CAS Name: acetic acid [2-methyl-3-(phenylthio)penta-3,4-dien-2-yl] ester IUPAC Name: (2-methyl-3-phenylsulfanylpenta-3,4-dien-2-yl) acetate Traditional Name: acetic acid [1,1-dimethyl-2-(phenylthio)buta-2,3-dienyl] ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2S/c1-5-13(14(3,4)16-11(2)15)17-12-9-7-6-8-10-12/h6-10H,1H2,2-4H3