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

Systemtic Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Openeye Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H14N2O4S/c24-20(18-14-16-10-4-5-11-17(16)26-18)25-12-6-7-13-28-21-23-22-19(27-21)15-8-2-1-3-9-15/h1-5,8-11,14H,12-13H2