ethyl 5-azanyl-4-cyano-3-[2-(6-ethyl-1-benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(6-ethyl-1-benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(6-ethylbenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(6-ethyl-3-benzofuranyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(6-ethylbenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C21H20N2O5S/c1-3-12-5-6-14-13(10-27-17(14)7-12)8-18(24)28-11-16-15(9-22)20(23)29-19(16)21(25)26-4-2/h5-7,10H,3-4,8,11,23H2,1-2H3