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

Systemtic Name: 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-ethylthiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(2-ethyl-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-ethylthiazol-4-yl)methylthio]propionic acid Formula: C9H13NO2S2 MolecularWeight: 231.33502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CSC(C)C(=O)O

Isomeric SMILES

CCC1=NC(=CS1)CSC(C)C(=O)O

InChI

InChI=1S/C9H13NO2S2/c1-3-8-10-7(5-14-8)4-13-6(2)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)