ethyl (2R)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl (2R)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl (2R)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]butyric acid ethyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)OCC)SC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5S/c1-3-11(13(18)21-4-2)23-14-16-15-12(22-14)9-6-5-7-10(8-9)17(19)20/h5-8,11H,3-4H2,1-2H3/t11-/m1/s1