ethyl 3-[(2-methyl-5-methylsulfonyl-phenyl)carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(2-methyl-5-methylsulfonyl-phenyl)carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(2-methyl-5-methylsulfonyl-benzoyl)oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2-methyl-5-methylsulfonylphenyl)-oxomethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methyl-5-methylsulfonylbenzoyl)oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(5-mesyl-2-methyl-benzoyl)oxymethyl]coumarilic acid ethyl ester Formula: C21H20O7S MolecularWeight: 416.4443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H20O7S/c1-4-26-21(23)19-17(15-7-5-6-8-18(15)28-19)12-27-20(22)16-11-14(29(3,24)25)10-9-13(16)2/h5-11H,4,12H2,1-3H3