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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H23BrClNO4S MolecularWeight: 584.90852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C28H23BrClNO4S/c1-3-34-28(33)26-25(19-9-12-21(30)13-10-19)17(2)36-27(26)31-24(32)16-35-23-14-11-20(15-22(23)29)18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,31,32)