diethyl 5-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br

InChI

InChI=1S/C21H24BrNO6S/c1-5-13-8-9-15(14(22)10-13)29-11-16(24)23-19-17(20(25)27-6-2)12(4)18(30-19)21(26)28-7-3/h8-10H,5-7,11H2,1-4H3,(H,23,24)