[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C18H18O5S2 MolecularWeight: 378.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H18O5S2/c1-12-4-9-15(25(3,21)22)10-16(12)18(20)23-11-17(19)13-5-7-14(24-2)8-6-13/h4-10H,11H2,1-3H3