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

Systemtic Name: ethyl 2-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[1-[(2-bromo-4-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrClN3O5S MolecularWeight: 540.81466

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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=C(C=C(C=C3)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClN3O5S/c1-4-30-21(29)17-11(2)18(12(3)27)32-20(17)24-19(28)15-7-8-26(25-15)10-31-16-6-5-13(23)9-14(16)22/h5-9H,4,10H2,1-3H3,(H,24,28)