1-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]cyclobutane-1-carboxylic acid

Systemtic Name: 1-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[4-[2-[2-[6-(dimethylamino)-3-pyridyl]-5-methyl-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]cyclobutanecarboxylic acid CAS Name: 1-[4-[2-[2-[6-(dimethylamino)-3-pyridinyl]-5-methyl-4-oxazolyl]ethoxy]but-2-ynylthio]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[4-[2-[2-[6-(dimethylamino)-3-pyridyl]-5-methyl-oxazol-4-yl]ethoxy]but-2-ynylthio]cyclobutanecarboxylic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CN=C(C=C2)N(C)C)CCOCC#CCSC3(CCC3)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CN=C(C=C2)N(C)C)CCOCC#CCSC3(CCC3)C(=O)O

InChI

InChI=1S/C22H27N3O4S/c1-16-18(24-20(29-16)17-7-8-19(23-15-17)25(2)3)9-13-28-12-4-5-14-30-22(21(26)27)10-6-11-22/h7-8,15H,6,9-14H2,1-3H3,(H,26,27)