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

Systemtic Name: 3-[(3-propyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-propylisoxazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-propyl-5-isoxazolyl)methylthio]propanoic acid IUPAC Name: 3-[(3-propyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-propylisoxazol-5-yl)methylthio]propionic acid Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CSCCC(=O)O

Isomeric SMILES

CCCC1=NOC(=C1)CSCCC(=O)O

InChI

InChI=1S/C10H15NO3S/c1-2-3-8-6-9(14-11-8)7-15-5-4-10(12)13/h6H,2-5,7H2,1H3,(H,12,13)