3-[3-methyl-4-[5-(5-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-methyl-4-[5-(5-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[3-methyl-4-[5-(5-phenyl-2-thienyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid CAS Name: 3-[3-methyl-4-[5-(5-phenyl-2-thiophenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid IUPAC Name: 3-[3-methyl-4-[5-(5-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[3-methyl-4-[5-(5-phenyl-2-thienyl)-1,2,4-oxadiazol-3-yl]phenyl]propionic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=NOC(=N2)C3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=NOC(=N2)C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-14-13-15(8-12-20(25)26)7-9-17(14)21-23-22(27-24-21)19-11-10-18(28-19)16-5-3-2-4-6-16/h2-7,9-11,13H,8,12H2,1H3,(H,25,26)