azepane; O2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl) O1-(thiophen-2-ylmethyl) ethanedioate

Systemtic Name: azepane; O2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl) O1-(thiophen-2-ylmethyl) ethanedioate Openeye Name: azepane; O2-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl] O1-(2-thienylmethyl) oxalate CAS Name: azepane; oxalic acid O2-[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl] ester O1-(thiophen-2-ylmethyl) ester IUPAC Name: azepane; 2-O-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl) 1-O-(thiophen-2-ylmethyl) oxalate Traditional Name: azepane; oxalic acid O2-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl] ester O1-(2-thenyl) ester Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.C1=CC=NC(=C1)C2=NN=C(O2)OC(=O)C(=O)OCC3=CC=CS3

Isomeric SMILES

C1CCCNCC1.C1=CC=NC(=C1)C2=NN=C(O2)OC(=O)C(=O)OCC3=CC=CS3

InChI

InChI=1S/C14H9N3O5S.C6H13N/c18-12(20-8-9-4-3-7-23-9)13(19)22-14-17-16-11(21-14)10-5-1-2-6-15-10;1-2-4-6-7-5-3-1/h1-7H,8H2;7H,1-6H2