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

Systemtic Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]propionic acid Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c1-14(2,3)9-4-5-11-10(8-9)15-13(18-11)19-7-6-12(16)17/h4-5,8H,6-7H2,1-3H3,(H,16,17)