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

Systemtic Name: 2-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-[2-[6-(dimethylamino)-3-pyridyl]-5-methyl-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[2-[6-(dimethylamino)-3-pyridinyl]-5-methyl-4-oxazolyl]ethoxy]but-2-ynylthio]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[2-[6-(dimethylamino)-3-pyridyl]-5-methyl-oxazol-4-yl]ethoxy]but-2-ynylthio]-2-methyl-propionic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-15-17(10-12-27-11-6-7-13-29-21(2,3)20(25)26)23-19(28-15)16-8-9-18(22-14-16)24(4)5/h8-9,14H,10-13H2,1-5H3,(H,25,26)