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

Systemtic Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Openeye Name: 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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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=NC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-25-16-6-5-15(13-17(16)26-2)19(24)27-11-3-4-12-29-20-23-22-18(28-20)14-7-9-21-10-8-14/h5-10,13H,11-12H2,1-2H3