(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C21H20N2O6S/c1-3-26-10-14-12-7-5-6-8-16(12)29-17(14)20(24)28-11-15-13(9-22)19(23)30-18(15)21(25)27-4-2/h5-8H,3-4,10-11,23H2,1-2H3