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

Systemtic Name: dimethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C23H26N4O7S/c1-11-16(21(29)33-2)20(35-18(11)22(30)34-3)24-19(28)17-15(27(31)32)10-26(25-17)23-7-12-4-13(8-23)6-14(5-12)9-23/h10,12-14H,4-9H2,1-3H3,(H,24,28)