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

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Openeye Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C21H17BrN2O5S MolecularWeight: 489.33908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC=C3Br)OC

InChI

InChI=1S/C21H17BrN2O5S/c1-26-17-10-9-14(13-18(17)27-2)20(25)28-11-5-6-12-30-21-24-23-19(29-21)15-7-3-4-8-16(15)22/h3-4,7-10,13H,11-12H2,1-2H3