3-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-(2,5-dimethyl-3-furanyl)-1,3,4-oxadiazol-2-yl]methylthio]propanoic acid IUPAC Name: 3-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methylthio]propionic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)CSCCC(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)CSCCC(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-7-5-9(8(2)17-7)12-14-13-10(18-12)6-19-4-3-11(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)