2-(1,3-benzoxazol-5-yl)-2-tert-butylsulfanyl-ethanoic acid

Systemtic Name: 2-(1,3-benzoxazol-5-yl)-2-tert-butylsulfanyl-ethanoic acid Openeye Name: 2-(1,3-benzoxazol-5-yl)-2-tert-butylsulfanyl-acetic acid CAS Name: 2-(1,3-benzoxazol-5-yl)-2-(tert-butylthio)acetic acid IUPAC Name: 2-(1,3-benzoxazol-5-yl)-2-tert-butylsulfanylacetic acid Traditional Name: 2-(1,3-benzoxazol-5-yl)-2-(tert-butylthio)acetic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(C1=CC2=C(C=C1)OC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)SC(C1=CC2=C(C=C1)OC=N2)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-13(2,3)18-11(12(15)16)8-4-5-10-9(6-8)14-7-17-10/h4-7,11H,1-3H3,(H,15,16)