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

Systemtic Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Openeye Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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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=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-25-17-11-10-16(14-18(17)26-2)20(24)27-12-6-7-13-29-21-23-22-19(28-21)15-8-4-3-5-9-15/h3-5,8-11,14H,12-13H2,1-2H3