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

Systemtic Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-methylisoxazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-methyl-5-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]propionic acid Formula: C8H11NO3S MolecularWeight: 201.24284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC(C)C(=O)O

Isomeric SMILES

CC1=NOC(=C1)CSC(C)C(=O)O

InChI

InChI=1S/C8H11NO3S/c1-5-3-7(12-9-5)4-13-6(2)8(10)11/h3,6H,4H2,1-2H3,(H,10,11)