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

Systemtic Name: 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]thio]propionic acid Formula: C9H7N3O5S2 MolecularWeight: 301.29898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N3O5S2/c13-7(14)3-4-18-9-11-10-8(19-9)5-1-2-6(17-5)12(15)16/h1-2H,3-4H2,(H,13,14)