ethyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H21BrClNO4S MolecularWeight: 522.83914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C23H21BrClNO4S/c1-3-14-5-7-15(8-6-14)17-13-31-22(21(17)23(28)29-4-2)26-20(27)12-30-19-10-9-16(25)11-18(19)24/h5-11,13H,3-4,12H2,1-2H3,(H,26,27)