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

Systemtic Name: ethyl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O5S/c1-4-32-22(29)18-12(2)13(3)33-21(18)24-20(28)19-17(27(30)31)11-26(25-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h11,14-16H,4-10H2,1-3H3,(H,24,28)