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

Systemtic Name: ethyl (E)-3-methylsulfanyl-4-oxidanylidene-2-prop-2-enyl-hept-2-enoate Openeye Name: ethyl (E)-2-allyl-3-methylsulfanyl-4-oxo-hept-2-enoate CAS Name: (E)-3-(methylthio)-4-oxo-2-prop-2-enyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3-methylsulfanyl-4-oxo-2-prop-2-enylhept-2-enoate Traditional Name: (E)-2-allyl-4-keto-3-(methylthio)hept-2-enoic acid ethyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-5-8-10(13(15)16-7-3)12(17-4)11(14)9-6-2/h5H,1,6-9H2,2-4H3/b12-10+