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

Systemtic Name: 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-(2-furanyl)-3-isoxazolyl]methylthio]propanoic acid IUPAC Name: 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(2-furyl)isoxazol-3-yl]methylthio]propionic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NO2)CSCCC(=O)O

Isomeric SMILES

C1=COC(=C1)C2=CC(=NO2)CSCCC(=O)O

InChI

InChI=1S/C11H11NO4S/c13-11(14)3-5-17-7-8-6-10(16-12-8)9-2-1-4-15-9/h1-2,4,6H,3,5,7H2,(H,13,14)