5-(phenylmethylsulfanyl)pent-1-en-3-yl ethanoate

Systemtic Name: 5-(phenylmethylsulfanyl)pent-1-en-3-yl ethanoate Openeye Name: 1-(2-benzylsulfanylethyl)allyl acetate CAS Name: acetic acid 5-(phenylmethylthio)pent-1-en-3-yl ester IUPAC Name: 5-benzylsulfanylpent-1-en-3-yl acetate Traditional Name: acetic acid 1-[2-(benzylthio)ethyl]allyl ester Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCSCC1=CC=CC=C1)C=C

Isomeric SMILES

CC(=O)OC(CCSCC1=CC=CC=C1)C=C

InChI

InChI=1S/C14H18O2S/c1-3-14(16-12(2)15)9-10-17-11-13-7-5-4-6-8-13/h3-8,14H,1,9-11H2,2H3