ethyl (E)-2-(phenylmethylsulfanyl)pent-2-enoate

Systemtic Name: ethyl (E)-2-(phenylmethylsulfanyl)pent-2-enoate Openeye Name: ethyl (E)-2-benzylsulfanylpent-2-enoate CAS Name: (E)-2-(phenylmethylthio)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-2-benzylsulfanylpent-2-enoate Traditional Name: (E)-2-(benzylthio)pent-2-enoic acid ethyl ester Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(=O)OCC)SCC1=CC=CC=C1

Isomeric SMILES

CC/C=C(\C(=O)OCC)/SCC1=CC=CC=C1

InChI

InChI=1S/C14H18O2S/c1-3-8-13(14(15)16-4-2)17-11-12-9-6-5-7-10-12/h5-10H,3-4,11H2,1-2H3/b13-8+