ethyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H16BrN3O5S MolecularWeight: 490.32714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O5S/c1-3-29-20(26)17-16(12-4-6-15(7-5-12)24(27)28)11(2)30-19(17)23-18(25)13-8-14(21)10-22-9-13/h4-10H,3H2,1-2H3,(H,23,25)