2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]propionic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC(C)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSC(C)C(=O)O

InChI

InChI=1S/C9H13NO3S/c1-5-8(6(2)13-10-5)4-14-7(3)9(11)12/h7H,4H2,1-3H3,(H,11,12)