ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-fluorophenyl)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)NC(=O)C(C)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(C)OC3=CC(=CC=C3)Br

InChI

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