diethyl 2-(2-ethanoylsulfanylphenyl)carbonylpropanedioate

Systemtic Name: diethyl 2-(2-ethanoylsulfanylphenyl)carbonylpropanedioate Openeye Name: diethyl 2-(2-acetylsulfanylbenzoyl)propanedioate CAS Name: 2-[[2-(acetylthio)phenyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-acetylsulfanylbenzoyl)propanedioate Traditional Name: 2-[2-(acetylthio)benzoyl]malonic acid diethyl ester Formula: C16H18O6S MolecularWeight: 338.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=CC=C1SC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC=CC=C1SC(=O)C)C(=O)OCC

InChI

InChI=1S/C16H18O6S/c1-4-21-15(19)13(16(20)22-5-2)14(18)11-8-6-7-9-12(11)23-10(3)17/h6-9,13H,4-5H2,1-3H3