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

Systemtic Name: 3-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-ethylthiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-ethyl-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 3-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(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)CSCCC(=O)O

Isomeric SMILES

CCC1=NC(=CS1)CSCCC(=O)O

InChI

InChI=1S/C9H13NO2S2/c1-2-8-10-7(6-14-8)5-13-4-3-9(11)12/h6H,2-5H2,1H3,(H,11,12)