dimethyl 5-azanyl-3-[2-(4-cyanophenoxy)ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-(4-cyanophenoxy)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(4-cyanophenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-(4-cyanophenoxy)-1-oxoethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(4-cyanophenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(4-cyanophenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)COC2=CC=C(C=C2)C#N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)COC2=CC=C(C=C2)C#N)C(=O)OC)N

InChI

InChI=1S/C18H16N2O7S/c1-24-17(22)14-12(15(18(23)25-2)28-16(14)20)8-27-13(21)9-26-11-5-3-10(7-19)4-6-11/h3-6H,8-9,20H2,1-2H3