4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C21H13BrN2O4S MolecularWeight: 469.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrN2O4S/c22-16-9-7-14(8-10-16)19-23-24-21(28-19)29-12-4-3-11-26-20(25)18-13-15-5-1-2-6-17(15)27-18/h1-2,5-10,13H,11-12H2