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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C21H13ClN2O4S MolecularWeight: 424.85692

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN2O4S/c22-16-8-5-7-15(12-16)19-23-24-21(28-19)29-11-4-3-10-26-20(25)18-13-14-6-1-2-9-17(14)27-18/h1-2,5-9,12-13H,10-11H2