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

Systemtic Name: 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[2-(3-chlorophenyl)oxazol-4-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[2-(3-chlorophenyl)-4-oxazolyl]methylthio]propanoic acid IUPAC Name: 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[2-(3-chlorophenyl)oxazol-4-yl]methylthio]propionic acid Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC(=CO2)CSCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC(=CO2)CSCCC(=O)O

InChI

InChI=1S/C13H12ClNO3S/c14-10-3-1-2-9(6-10)13-15-11(7-18-13)8-19-5-4-12(16)17/h1-3,6-7H,4-5,8H2,(H,16,17)