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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC)Br

InChI

InChI=1S/C21H24BrNO5S/c1-5-7-14-8-9-16(15(22)10-14)28-11-17(25)23-20-18(21(26)27-6-2)12(3)19(29-20)13(4)24/h8-10H,5-7,11H2,1-4H3,(H,23,25)