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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CO2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CO2)CSCCC(=O)O

InChI

InChI=1S/C13H13NO3S/c15-12(16)6-7-18-9-11-8-17-13(14-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,15,16)