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

Systemtic Name: 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylthio]propanoic acid IUPAC Name: 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylthio]propionic acid Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)CSCCC(=O)O

Isomeric SMILES

CC(C)C1=NOC(=N1)CSCCC(=O)O

InChI

InChI=1S/C9H14N2O3S/c1-6(2)9-10-7(14-11-9)5-15-4-3-8(12)13/h6H,3-5H2,1-2H3,(H,12,13)