ethyl 2-(2-ethanoylsulfanylphenyl)carbonyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(2-ethanoylsulfanylphenyl)carbonyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(2-acetylsulfanylbenzoyl)-3-oxo-butanoate CAS Name: 2-[[2-(acetylthio)phenyl]-oxomethyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfanylbenzoyl)-3-oxobutanoate Traditional Name: 2-[2-(acetylthio)benzoyl]-3-keto-butyric acid ethyl ester Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O5S/c1-4-20-15(19)13(9(2)16)14(18)11-7-5-6-8-12(11)21-10(3)17/h5-8,13H,4H2,1-3H3