ethyl 4-(4-bromophenyl)-2-[2-(3-chloranylphenoxy)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(3-chloranylphenoxy)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[2-(3-chlorophenoxy)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[2-(3-chlorophenoxy)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[2-(3-chlorophenoxy)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H19BrClNO4S MolecularWeight: 508.81256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClNO4S/c1-3-28-22(27)19-18(14-7-9-15(23)10-8-14)12-30-21(19)25-20(26)13(2)29-17-6-4-5-16(24)11-17/h4-13H,3H2,1-2H3,(H,25,26)