diethyl 5-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H21FN4O8S MolecularWeight: 520.487543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O8S/c1-4-33-21(29)17-12(3)18(22(30)34-5-2)36-20(17)24-19(28)14-8-9-26(25-14)11-35-16-10-13(23)6-7-15(16)27(31)32/h6-10H,4-5,11H2,1-3H3,(H,24,28)