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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[3-(4-chlorophenyl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[3-(4-chlorophenyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[3-(4-chlorophenyl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[3-(4-chlorophenyl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H19BrClNO3S MolecularWeight: 492.81316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19BrClNO3S/c1-2-28-22(27)20-18(15-6-8-16(23)9-7-15)13-29-21(20)25-19(26)12-5-14-3-10-17(24)11-4-14/h3-4,6-11,13H,2,5,12H2,1H3,(H,25,26)