ethyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C29H33N3O3S/c1-4-35-28(34)24-17(2)18(3)36-27(24)30-26(33)23-16-32(22-8-6-5-7-9-22)31-25(23)29-13-19-10-20(14-29)12-21(11-19)15-29/h5-9,16,19-21H,4,10-15H2,1-3H3,(H,30,33)