diethyl 2-(3-methylsulfanylbuta-1,3-dien-2-yl)-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-(3-methylsulfanylbuta-1,3-dien-2-yl)-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-(1-methylene-2-methylsulfanyl-allyl)propanedioate CAS Name: 2-hydroxy-2-[3-(methylthio)buta-1,3-dien-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-(3-methylsulfanylbuta-1,3-dien-2-yl)propanedioate Traditional Name: 2-hydroxy-2-[1-methylene-2-(methylthio)allyl]malonic acid diethyl ester Formula: C12H18O5S MolecularWeight: 274.33332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C)C(=C)SC)(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C(C(=C)C(=C)SC)(C(=O)OCC)O

InChI

InChI=1S/C12H18O5S/c1-6-16-10(13)12(15,11(14)17-7-2)8(3)9(4)18-5/h15H,3-4,6-7H2,1-2,5H3