ethyl 2-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19FN4O6S MolecularWeight: 462.451463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O6S/c1-4-30-20(27)17-11(2)12(3)32-19(17)22-18(26)14-7-8-24(23-14)10-31-16-9-13(21)5-6-15(16)25(28)29/h5-9H,4,10H2,1-3H3,(H,22,26)