O2-ethyl O4-methyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C24H28N4O7S MolecularWeight: 516.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

InChI

InChI=1S/C24H28N4O7S/c1-4-35-23(31)19-12(2)17(22(30)34-3)21(36-19)25-20(29)18-16(28(32)33)11-27(26-18)24-8-13-5-14(9-24)7-15(6-13)10-24/h11,13-15H,4-10H2,1-3H3,(H,25,29)