(5-ethanoyl-2-methoxy-phenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H22O5S MolecularWeight: 386.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22O5S/c1-14(22)16-6-10-20(25-2)17(12-16)13-26-21(24)11-9-19(23)15-4-7-18(27-3)8-5-15/h4-8,10,12H,9,11,13H2,1-3H3