2-methyl-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-methyl-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-methyl-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-methyl-2-[(6-methyl-1,3-benzoxazol-2-yl)thio]propanoic acid IUPAC Name: 2-methyl-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-methyl-2-[(6-methyl-1,3-benzoxazol-2-yl)thio]propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)SC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)SC(C)(C)C(=O)O

InChI

InChI=1S/C12H13NO3S/c1-7-4-5-8-9(6-7)16-11(13-8)17-12(2,3)10(14)15/h4-6H,1-3H3,(H,14,15)