ethyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H19BrFNO4S MolecularWeight: 492.357963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrFNO4S/c1-3-28-22(27)20-19(14-4-8-16(24)9-5-14)13(2)30-21(20)25-18(26)12-29-17-10-6-15(23)7-11-17/h4-11H,3,12H2,1-2H3,(H,25,26)