ethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromobenzofuran-2-carbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-benzofuranyl)-oxomethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-bromobenzofuran-2-carbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H15BrN2O6S MolecularWeight: 515.3333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C22H15BrN2O6S/c1-2-30-22(27)19-16(12-4-3-5-15(9-12)25(28)29)11-32-21(19)24-20(26)18-10-13-8-14(23)6-7-17(13)31-18/h3-11H,2H2,1H3,(H,24,26)