diethyl 5-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(2-bromo-4-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H21BrClN3O6S MolecularWeight: 570.84064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClN3O6S/c1-4-31-21(29)17-12(3)18(22(30)32-5-2)34-20(17)25-19(28)15-8-9-27(26-15)11-33-16-7-6-13(24)10-14(16)23/h6-10H,4-5,11H2,1-3H3,(H,25,28)