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

Systemtic Name: dimethyl 5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18BrN3O6S MolecularWeight: 508.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O6S/c1-11-15(19(26)28-2)18(31-16(11)20(27)29-3)22-17(25)14-8-9-24(23-14)10-30-13-6-4-12(21)5-7-13/h4-9H,10H2,1-3H3,(H,22,25)