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

Systemtic Name: dimethyl 5-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H17BrClN3O6S MolecularWeight: 542.78748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br)C(=O)OC

InChI

InChI=1S/C20H17BrClN3O6S/c1-10-15(19(27)29-2)18(32-16(10)20(28)30-3)23-17(26)13-6-7-25(24-13)9-31-14-5-4-11(22)8-12(14)21/h4-8H,9H2,1-3H3,(H,23,26)