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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CSC(=N1)NC(=O)C

Isomeric SMILES

CC(C(=O)O)SCC1=CSC(=N1)NC(=O)C

InChI

InChI=1S/C9H12N2O3S2/c1-5(8(13)14)15-3-7-4-16-9(11-7)10-6(2)12/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,12)