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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C17H14BrN3O4S/c18-13-3-1-2-11(8-13)16-20-14(25-21-16)9-24-15(22)4-6-19-17(23)12-5-7-26-10-12/h1-3,5,7-8,10H,4,6,9H2,(H,19,23)