ethyl 5-(4-bromophenyl)-3-(2-phenoxyethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-3-(2-phenoxyethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-3-[(2-phenoxyacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-bromophenyl)-3-[(1-oxo-2-phenoxyethyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-3-[(2-phenoxyacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-bromophenyl)-3-[(2-phenoxyacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO4S/c1-2-26-21(25)20-17(12-18(28-20)14-8-10-15(22)11-9-14)23-19(24)13-27-16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,24)