[4-(thiophen-2-ylcarbonylamino)phenyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid [4-(2-thenoylamino)phenyl] ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrNO4S/c22-15-5-3-14(4-6-15)18(24)11-12-20(25)27-17-9-7-16(8-10-17)23-21(26)19-2-1-13-28-19/h1-10,13H,11-12H2,(H,23,26)