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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl ethanoate Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl acetate CAS Name: acetic acid 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl acetate Traditional Name: acetic acid 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCSC1=NN=C(O1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)OCC#CCSC1=NN=C(O1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H16N2O5S/c1-11(19)22-8-4-5-9-24-16-18-17-15(23-16)12-6-7-13(20-2)14(10-12)21-3/h6-7,10H,8-9H2,1-3H3