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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid IUPAC Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC(=NO1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)O)SCC1=NC(=NO1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H14N2O4S/c1-8(13(16)17)20-7-11-14-12(15-19-11)9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,17)