diethyl 2-[(E)-5-methylsulfanylpent-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(E)-5-methylsulfanylpent-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-5-methylsulfanylpent-2-enyl]propanedioate CAS Name: 2-[(E)-5-(methylthio)pent-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-5-methylsulfanylpent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-(methylthio)pent-2-enyl]malonic acid diethyl ester Formula: C13H22O4S MolecularWeight: 274.37638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCCSC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/CCSC)C(=O)OCC

InChI

InChI=1S/C13H22O4S/c1-4-16-12(14)11(13(15)17-5-2)9-7-6-8-10-18-3/h6-7,11H,4-5,8-10H2,1-3H3/b7-6+