3-[4-(5-tert-butylsulfanyl-1,2,4-oxadiazol-3-yl)-2-oxidanyl-phenoxy]-2-oxidanylidene-3-pyrrolidin-1-yl-propanoic acid

Systemtic Name: 3-[4-(5-tert-butylsulfanyl-1,2,4-oxadiazol-3-yl)-2-oxidanyl-phenoxy]-2-oxidanylidene-3-pyrrolidin-1-yl-propanoic acid Openeye Name: 3-[4-(5-tert-butylsulfanyl-1,2,4-oxadiazol-3-yl)-2-hydroxy-phenoxy]-2-oxo-3-pyrrolidin-1-yl-propanoic acid CAS Name: 3-[4-[5-(tert-butylthio)-1,2,4-oxadiazol-3-yl]-2-hydroxyphenoxy]-2-oxo-3-(1-pyrrolidinyl)propanoic acid IUPAC Name: 3-[4-(5-tert-butylsulfanyl-1,2,4-oxadiazol-3-yl)-2-hydroxyphenoxy]-2-oxo-3-pyrrolidin-1-ylpropanoic acid Traditional Name: 3-[4-[5-(tert-butylthio)-1,2,4-oxadiazol-3-yl]-2-hydroxy-phenoxy]-2-keto-3-pyrrolidino-propionic acid Formula: C19H23N3O6S MolecularWeight: 421.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=NC(=NO1)C2=CC(=C(C=C2)OC(C(=O)C(=O)O)N3CCCC3)O

Isomeric SMILES

CC(C)(C)SC1=NC(=NO1)C2=CC(=C(C=C2)OC(C(=O)C(=O)O)N3CCCC3)O

InChI

InChI=1S/C19H23N3O6S/c1-19(2,3)29-18-20-15(21-28-18)11-6-7-13(12(23)10-11)27-16(14(24)17(25)26)22-8-4-5-9-22/h6-7,10,16,23H,4-5,8-9H2,1-3H3,(H,25,26)