methyl 4-(4-methylsulfanylphenyl)-2,4-bis(oxidanylidene)butanoate

Systemtic Name: methyl 4-(4-methylsulfanylphenyl)-2,4-bis(oxidanylidene)butanoate Openeye Name: methyl 4-(4-methylsulfanylphenyl)-2,4-dioxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-2,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-methylsulfanylphenyl)-2,4-dioxobutanoate Traditional Name: 2,4-diketo-4-[4-(methylthio)phenyl]butyric acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C12H12O4S/c1-16-12(15)11(14)7-10(13)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3