ethyl 3-[[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(2-acetonylsulfanylbenzoyl)oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[oxo-[2-(2-oxopropylthio)phenyl]methoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-oxopropylsulfanyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(acetonylthio)benzoyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3SCC(=O)C

InChI

InChI=1S/C22H20O6S/c1-3-26-22(25)20-17(15-8-4-6-10-18(15)28-20)12-27-21(24)16-9-5-7-11-19(16)29-13-14(2)23/h4-11H,3,12-13H2,1-2H3