methyl 5-[[2-[(4-cyanophenyl)methylsulfanyl]phenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[2-[(4-cyanophenyl)methylsulfanyl]phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-[(4-cyanophenyl)methylsulfanyl]benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[2-[(4-cyanophenyl)methylthio]phenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-cyanophenyl)methylsulfanyl]benzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[2-[(4-cyanobenzyl)thio]benzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H17NO5S/c1-26-22(25)19-11-10-17(28-19)13-27-21(24)18-4-2-3-5-20(18)29-14-16-8-6-15(12-23)7-9-16/h2-11H,13-14H2,1H3