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

Systemtic Name: 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]propanoic acid CAS Name: 3-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(2-thienyl)isoxazol-3-yl]methylthio]propionic acid Formula: C11H11NO3S2 MolecularWeight: 269.33994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3S2/c13-11(14)3-5-16-7-8-6-9(15-12-8)10-2-1-4-17-10/h1-2,4,6H,3,5,7H2,(H,13,14)