4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-fluoranylbenzoate

Systemtic Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-fluoranylbenzoate Openeye Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid 4-[(5-p-phenetyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H17FN2O4S/c1-2-26-18-10-8-15(9-11-18)19-23-24-21(28-19)29-13-4-3-12-27-20(25)16-6-5-7-17(22)14-16/h5-11,14H,2,12-13H2,1H3