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

Systemtic Name: 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[2-(2-chlorophenyl)thiazol-4-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[2-(2-chlorophenyl)-4-thiazolyl]methylthio]propanoic acid IUPAC Name: 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[2-(2-chlorophenyl)thiazol-4-yl]methylthio]propionic acid Formula: C13H12ClNO2S2 MolecularWeight: 313.82288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CSC(=N1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C(=O)O)SCC1=CSC(=N1)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H12ClNO2S2/c1-8(13(16)17)18-6-9-7-19-12(15-9)10-4-2-3-5-11(10)14/h2-5,7-8H,6H2,1H3,(H,16,17)