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

Systemtic Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-phenylisoxazol-5-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3-phenyl-5-isoxazolyl)methylthio]acetic acid IUPAC Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-phenylisoxazol-5-yl)methylthio]acetic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3S/c14-12(15)8-17-7-10-6-11(13-16-10)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15)