3-cyanopropyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: 3-cyanopropyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: 3-cyanopropyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoate CAS Name: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Traditional Name: 3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propionic acid 3-cyanopropyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C(=O)O2)CCC(=O)OCCCC#N

Isomeric SMILES

C1=CSC(=C1)C2=NN(C(=O)O2)CCC(=O)OCCCC#N

InChI

InChI=1S/C13H13N3O4S/c14-6-1-2-8-19-11(17)5-7-16-13(18)20-12(15-16)10-4-3-9-21-10/h3-4,9H,1-2,5,7-8H2