ethyl (E)-3-but-3-ynylsulfanylhept-2-enoate

Systemtic Name: ethyl (E)-3-but-3-ynylsulfanylhept-2-enoate Openeye Name: ethyl (E)-3-but-3-ynylsulfanylhept-2-enoate CAS Name: (E)-3-(but-3-ynylthio)-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3-but-3-ynylsulfanylhept-2-enoate Traditional Name: (E)-3-(but-3-ynylthio)hept-2-enoic acid ethyl ester Formula: C13H20O2S MolecularWeight: 240.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC(=O)OCC)SCCC#C

Isomeric SMILES

CCCC/C(=C\C(=O)OCC)/SCCC#C

InChI

InChI=1S/C13H20O2S/c1-4-7-9-12(16-10-8-5-2)11-13(14)15-6-3/h2,11H,4,6-10H2,1,3H3/b12-11+