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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate CAS Name: 2-methylbenzoic 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 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H20N2O5S/c1-15-8-4-5-9-17(15)21(25)28-12-6-7-13-30-22-24-23-20(29-22)16-10-11-18(26-2)19(14-16)27-3/h4-5,8-11,14H,12-13H2,1-3H3