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

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

Systemtic Name:2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
Openeye Name:2-[(2-phenyloxazol-4-yl)methylsulfanyl]propanoic acid
CAS Name:2-[(2-phenyl-4-oxazolyl)methylthio]propanoic acid
IUPAC Name:2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
Traditional Name:2-[(2-phenyloxazol-4-yl)methylthio]propionic acid
Formula: C13H13NO3S
MolecularWeight: 263.31222
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=COC(=N1)C2=CC=CC=C2


Isomeric SMILES

CC(C(=O)O)SCC1=COC(=N1)C2=CC=CC=C2


InChI

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


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