2-[[5-(1,2-benzoxazol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(1,2-benzoxazol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1,2-benzoxazol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1,2-benzoxazol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(1,2-benzoxazol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(indoxazen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC3=NN=C(O3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC3=NN=C(O3)SCC(=O)O

InChI

InChI=1S/C12H9N3O4S/c16-11(17)6-20-12-14-13-10(18-12)5-8-7-3-1-2-4-9(7)19-15-8/h1-4H,5-6H2,(H,16,17)