ethyl 4-(4-bromophenyl)-2-(2-phenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO3S/c1-2-26-21(25)19-17(15-8-10-16(22)11-9-15)13-27-20(19)23-18(24)12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,23,24)