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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Openeye Name: 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C22H20N2O6S/c1-26-17-9-5-4-8-16(17)20-23-24-22(30-20)31-13-7-6-12-29-21(25)15-10-11-18(27-2)19(14-15)28-3/h4-5,8-11,14H,12-13H2,1-3H3