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

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoate Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]propanoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylthio]propanoate IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylthio]propionate Formula: C9H12NO3S- MolecularWeight: 214.26148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSCCC(=O)[O-]

InChI

InChI=1S/C9H13NO3S/c1-6-8(7(2)13-10-6)5-14-4-3-9(11)12/h3-5H2,1-2H3,(H,11,12)/p-1