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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(4-propoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(4-propoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-(4-propoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-(4-propoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(4-propoxyphenyl)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(=CS2)C3=CC=C(C=C3)OCCC)C(=O)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OCCC)C(=O)OC)Br

InChI

InChI=1S/C26H28BrNO5S/c1-4-6-17-7-12-22(21(27)14-17)33-15-23(29)28-25-24(26(30)31-3)20(16-34-25)18-8-10-19(11-9-18)32-13-5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,28,29)