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

Systemtic Name: ethyl 2-[[1-(1-adamantyl)-4-bromanyl-pyrazol-3-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1-adamantyl)-4-bromo-pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)-4-bromo-3-pyrazolyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1-adamantyl)-4-bromopyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)-4-bromo-pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2Br)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2Br)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28BrN3O3S/c1-4-30-22(29)18-12(2)13(3)31-21(18)25-20(28)19-17(24)11-27(26-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h11,14-16H,4-10H2,1-3H3,(H,25,28)