2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanedioic acid

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanedioic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylpropanedioic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]propanedioic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanedioic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]malonic acid Formula: C18H11Cl2NO5S MolecularWeight: 424.25464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC(=N2)SC(C(=O)O)C(=O)O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC(=N2)SC(C(=O)O)C(=O)O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H11Cl2NO5S/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)26-18(21-13)27-15(16(22)23)17(24)25/h1-8,15H,(H,22,23)(H,24,25)