ethyl (E)-2-ethyl-3-methylsulfanyl-4-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E)-2-ethyl-3-methylsulfanyl-4-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E)-2-ethyl-3-methylsulfanyl-4-oxo-hept-2-enoate CAS Name: (E)-2-ethyl-3-(methylthio)-4-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-2-ethyl-3-methylsulfanyl-4-oxohept-2-enoate Traditional Name: (E)-2-ethyl-4-keto-3-(methylthio)hept-2-enoic acid ethyl ester Formula: C12H20O3S MolecularWeight: 244.3504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3S/c1-5-8-10(13)11(16-4)9(6-2)12(14)15-7-3/h5-8H2,1-4H3/b11-9+