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

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]acetate CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]acetate IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]acetate Formula: C12H10NO3S- MolecularWeight: 248.2777

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSCC(=O)[O-]

InChI

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