3-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanoic acid Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanoic acid CAS Name: 3-(1,3-benzoxazol-2-ylthio)-3-methylbutanoic acid IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-3-methylbutanoic acid Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-3-methyl-butyric acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C)(CC(=O)O)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C12H13NO3S/c1-12(2,7-10(14)15)17-11-13-8-5-3-4-6-9(8)16-11/h3-6H,7H2,1-2H3,(H,14,15)