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

Systemtic Name: methyl 3-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H22N4O5S/c1-29-19(26)17-14(2-3-30-17)21-18(25)16-15(24(27)28)10-23(22-16)20-7-11-4-12(8-20)6-13(5-11)9-20/h2-3,10-13H,4-9H2,1H3,(H,21,25)