ethyl 3-[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxy]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxy]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O7S/c1-4-32-22(29)21-16(10-17(34-21)15-8-6-5-7-9-15)23-18(27)12-33-19(28)11-25-14(3)20(26(30)31)13(2)24-25/h5-10H,4,11-12H2,1-3H3,(H,23,27)