ethyl (E)-2-methylsulfanylhept-4-enoate

Systemtic Name: ethyl (E)-2-methylsulfanylhept-4-enoate Openeye Name: ethyl (E)-2-methylsulfanylhept-4-enoate CAS Name: (E)-2-(methylthio)-4-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-2-methylsulfanylhept-4-enoate Traditional Name: (E)-2-(methylthio)hept-4-enoic acid ethyl ester Formula: C10H18O2S MolecularWeight: 202.31372

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C(=O)OCC)SC

Isomeric SMILES

CC/C=C/CC(C(=O)OCC)SC

InChI

InChI=1S/C10H18O2S/c1-4-6-7-8-9(13-3)10(11)12-5-2/h6-7,9H,4-5,8H2,1-3H3/b7-6+