ethyl 2-[2-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-chloro-3,5-dimethylphenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25BrClNO4S MolecularWeight: 550.8923

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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)C)Cl)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrClNO4S/c1-5-16-7-9-17(10-8-16)18-13-33-24(21(18)25(30)31-6-2)28-20(29)12-32-19-11-14(3)23(27)15(4)22(19)26/h7-11,13H,5-6,12H2,1-4H3,(H,28,29)