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

Systemtic Name: 3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-acetamidothiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-acetamido-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-acetamidothiazol-4-yl)methylthio]propionic acid Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CSCCC(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CSCCC(=O)O

InChI

InChI=1S/C9H12N2O3S2/c1-6(12)10-9-11-7(5-16-9)4-15-3-2-8(13)14/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)