2-ethanoylsulfanyl-3-(1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-3-(1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-acetylsulfanyl-3-thiazol-4-yl-propanoic acid CAS Name: 2-(acetylthio)-3-(4-thiazolyl)propanoic acid IUPAC Name: 2-acetylsulfanyl-3-(1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-(acetylthio)-3-thiazol-4-yl-propionic acid Formula: C8H9NO3S2 MolecularWeight: 231.29196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CSC=N1)C(=O)O

Isomeric SMILES

CC(=O)SC(CC1=CSC=N1)C(=O)O

InChI

InChI=1S/C8H9NO3S2/c1-5(10)14-7(8(11)12)2-6-3-13-4-9-6/h3-4,7H,2H2,1H3,(H,11,12)