methyl 6-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H23ClN4O5S MolecularWeight: 514.98122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C24H23ClN4O5S/c1-34-23(31)21-19(25)16-3-2-15(7-18(16)35-21)26-22(30)20-17(29(32)33)11-28(27-20)24-8-12-4-13(9-24)6-14(5-12)10-24/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,26,30)