2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[5-(3-chlorophenyl)oxazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[5-(3-chlorophenyl)-2-oxazolyl]methylthio]propanoic acid IUPAC Name: 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[5-(3-chlorophenyl)oxazol-2-yl]methylthio]propionic acid Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC=C(O1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C(=O)O)SCC1=NC=C(O1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H12ClNO3S/c1-8(13(16)17)19-7-12-15-6-11(18-12)9-3-2-4-10(14)5-9/h2-6,8H,7H2,1H3,(H,16,17)