O2-ethyl O4-propyl 5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 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 O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 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 O2-ethyl ester O4-propyl ester Formula: C23H24BrN3O6S MolecularWeight: 550.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O6S/c1-4-12-32-22(29)18-14(3)19(23(30)31-5-2)34-21(18)25-20(28)17-10-11-27(26-17)13-33-16-8-6-15(24)7-9-16/h6-11H,4-5,12-13H2,1-3H3,(H,25,28)