ethyl (E)-3-pent-4-ynylsulfanylhept-2-enoate

Systemtic Name: ethyl (E)-3-pent-4-ynylsulfanylhept-2-enoate Openeye Name: ethyl (E)-3-pent-4-ynylsulfanylhept-2-enoate CAS Name: (E)-3-(pent-4-ynylthio)-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3-pent-4-ynylsulfanylhept-2-enoate Traditional Name: (E)-3-(pent-4-ynylthio)hept-2-enoic acid ethyl ester Formula: C14H22O2S MolecularWeight: 254.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O2S/c1-4-7-9-11-17-13(10-8-5-2)12-14(15)16-6-3/h1,12H,5-11H2,2-3H3/b13-12+