dimethyl 2-methylsulfanyl-1-phenyl-imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-methylsulfanyl-1-phenyl-imidazole-4,5-dicarboxylate Openeye Name: dimethyl 2-methylsulfanyl-1-phenyl-imidazole-4,5-dicarboxylate CAS Name: 2-(methylthio)-1-phenylimidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-methylsulfanyl-1-phenylimidazole-4,5-dicarboxylate Traditional Name: 2-(methylthio)-1-phenyl-imidazole-4,5-dicarboxylic acid dimethyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=N1)SC)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C(=N1)SC)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H14N2O4S/c1-19-12(17)10-11(13(18)20-2)16(14(15-10)21-3)9-7-5-4-6-8-9/h4-8H,1-3H3