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

Systemtic Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-phenylthiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(2-phenyl-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-phenylthiazol-4-yl)methylthio]propionic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S2/c1-9(13(15)16)17-7-11-8-18-12(14-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,15,16)