3-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(5-nitro-2-thiophenyl)-1,3,4-thiadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]thio]propionic acid Formula: C9H7N3O4S3 MolecularWeight: 317.36458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)[N+](=O)[O-])C2=NN=C(S2)SCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)[N+](=O)[O-])C2=NN=C(S2)SCCC(=O)O

InChI

InChI=1S/C9H7N3O4S3/c13-7(14)3-4-17-9-11-10-8(19-9)5-1-2-6(18-5)12(15)16/h1-2H,3-4H2,(H,13,14)