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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)CSCCC(=O)O

Isomeric SMILES

CC(C)C1=NOC(=C1)CSCCC(=O)O

InChI

InChI=1S/C10H15NO3S/c1-7(2)9-5-8(14-11-9)6-15-4-3-10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13)