3-[(3-ethyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-ethyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-ethylisoxazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-ethyl-5-isoxazolyl)methylthio]propanoic acid IUPAC Name: 3-[(3-ethyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-ethylisoxazol-5-yl)methylthio]propionic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CSCCC(=O)O

Isomeric SMILES

CCC1=NOC(=C1)CSCCC(=O)O

InChI

InChI=1S/C9H13NO3S/c1-2-7-5-8(13-10-7)6-14-4-3-9(11)12/h5H,2-4,6H2,1H3,(H,11,12)