ethyl 3-(1-benzofuran-2-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-(1-benzofuran-2-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-(benzofuran-2-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-benzofuranyl(oxo)methyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1-benzofuran-2-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylate Traditional Name: 3-(benzofuran-2-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H16N2O6S MolecularWeight: 436.43724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H16N2O6S/c1-2-29-22(26)20-16(12-19(31-20)14-7-5-8-15(10-14)24(27)28)23-21(25)18-11-13-6-3-4-9-17(13)30-18/h3-12H,2H2,1H3,(H,23,25)