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

Systemtic Name: propan-2-yl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O6S/c1-11(2)35-23(32)17-12(3)19(20(25)30)36-22(17)26-21(31)18-16(29(33)34)10-28(27-18)24-7-13-4-14(8-24)6-15(5-13)9-24/h10-11,13-15H,4-9H2,1-3H3,(H2,25,30)(H,26,31)