ethyl 2-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20BrN3O5S MolecularWeight: 506.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O5S/c1-4-29-21(28)17-12(2)18(13(3)26)31-20(17)23-19(27)16-9-10-25(24-16)11-30-15-7-5-14(22)6-8-15/h5-10H,4,11H2,1-3H3,(H,23,27)