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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC)Br

InChI

InChI=1S/C26H28BrNO5S/c1-5-7-17-8-13-21(20(27)14-17)33-15-22(29)28-25-24(26(30)31-4)23(16(3)34-25)18-9-11-19(12-10-18)32-6-2/h8-14H,5-7,15H2,1-4H3,(H,28,29)