2-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]acetic acid IUPAC Name: 2-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]acetic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-13(2,3)8-4-5-10-9(6-8)14-12(17-10)18-7-11(15)16/h4-6H,7H2,1-3H3,(H,15,16)