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

Systemtic Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methoxybenzoate Openeye Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15FN2O4S MolecularWeight: 398.407503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O4S/c1-25-17-6-4-5-15(13-17)19(24)26-11-2-3-12-28-20-23-22-18(27-20)14-7-9-16(21)10-8-14/h4-10,13H,11-12H2,1H3