[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H14BrN3O4S MolecularWeight: 484.32256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H14BrN3O4S/c22-15-4-1-3-14(11-15)19-24-18(29-25-19)12-28-21(27)13-6-8-16(9-7-13)23-20(26)17-5-2-10-30-17/h1-11H,12H2,(H,23,26)