2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-chlorophenyl)oxazol-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-(4-chlorophenyl)-2-oxazolyl]methylthio]acetic acid IUPAC Name: 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-(4-chlorophenyl)oxazol-2-yl]methylthio]acetic acid Formula: C12H10ClNO3S MolecularWeight: 283.7307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(O2)CSCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(O2)CSCC(=O)O)Cl

InChI

InChI=1S/C12H10ClNO3S/c13-9-3-1-8(2-4-9)10-5-14-11(17-10)6-18-7-12(15)16/h1-5H,6-7H2,(H,15,16)