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

Systemtic Name: ethyl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H27N5O6S MolecularWeight: 501.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O6S/c1-3-34-22(31)16-11(2)18(19(24)29)35-21(16)25-20(30)17-15(28(32)33)10-27(26-17)23-7-12-4-13(8-23)6-14(5-12)9-23/h10,12-14H,3-9H2,1-2H3,(H2,24,29)(H,25,30)