(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenoxyethoxy)benzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenoxyethoxy)benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-phenoxyethoxy)benzoate CAS Name: 2-(2-phenoxyethoxy)benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenoxyethoxy)benzoate Traditional Name: 2-(2-phenoxyethoxy)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C22H18N2O5S/c25-22(28-15-20-23-21(24-29-20)19-11-6-14-30-19)17-9-4-5-10-18(17)27-13-12-26-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2