dimethyl 5-azanyl-3-[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19N3O6S2 MolecularWeight: 461.51136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C(=O)OC)N

InChI

InChI=1S/C20H19N3O6S2/c1-27-18(25)14-12(15(19(26)28-2)31-16(14)21)10-29-17(24)13-9-22-20(30-3)23(13)11-7-5-4-6-8-11/h4-9H,10,21H2,1-3H3