3-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-tert-butylthiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-tert-butyl-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-tert-butylthiazol-4-yl)methylthio]propionic acid Formula: C11H17NO2S2 MolecularWeight: 259.38818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CSCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CSCCC(=O)O

InChI

InChI=1S/C11H17NO2S2/c1-11(2,3)10-12-8(7-16-10)6-15-5-4-9(13)14/h7H,4-6H2,1-3H3,(H,13,14)