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

Systemtic Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoate Openeye Name: 3-[(3-methylisoxazol-5-yl)methylsulfanyl]propanoate CAS Name: 3-[(3-methyl-5-isoxazolyl)methylthio]propanoate IUPAC Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanoate Traditional Name: 3-[(3-methylisoxazol-5-yl)methylthio]propionate Formula: C8H10NO3S- MolecularWeight: 200.2349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSCCC(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CSCCC(=O)[O-]

InChI

InChI=1S/C8H11NO3S/c1-6-4-7(12-9-6)5-13-3-2-8(10)11/h4H,2-3,5H2,1H3,(H,10,11)/p-1