2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-propylthiazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(2-propyl-4-thiazolyl)methylthio]acetic acid IUPAC Name: 2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-propylthiazol-4-yl)methylthio]acetic acid Formula: C9H13NO2S2 MolecularWeight: 231.33502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CSCC(=O)O

Isomeric SMILES

CCCC1=NC(=CS1)CSCC(=O)O

InChI

InChI=1S/C9H13NO2S2/c1-2-3-8-10-7(5-14-8)4-13-6-9(11)12/h5H,2-4,6H2,1H3,(H,11,12)