ethyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5S/c1-5-13-7-8-15(14(21)9-13)27-10-16(24)22-19-17(20(25)26-6-2)11(3)18(28-19)12(4)23/h7-9H,5-6,10H2,1-4H3,(H,22,24)