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

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NOC(=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=NOC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO3S/c1-9(13(15)16)18-8-11-7-12(17-14-11)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,16)