methyl 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(hydrocinnamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO3S/c1-26-21(25)19-17(15-8-10-16(22)11-9-15)13-27-20(19)23-18(24)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,23,24)