methyl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H28N4O5S/c1-33-23(30)19-16-4-2-3-5-18(16)34-22(19)25-21(29)20-17(28(31)32)12-27(26-20)24-9-13-6-14(10-24)8-15(7-13)11-24/h12-15H,2-11H2,1H3,(H,25,29)