tert-butyl 2-oxidanylidene-3-[2-oxidanyl-4-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenoxy]-3-pyrrolidin-1-yl-propanoate

Systemtic Name: tert-butyl 2-oxidanylidene-3-[2-oxidanyl-4-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenoxy]-3-pyrrolidin-1-yl-propanoate Openeye Name: tert-butyl 3-[2-hydroxy-4-(5-thioxo-2H-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-3-pyrrolidin-1-yl-propanoate CAS Name: 3-[2-hydroxy-4-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-3-(1-pyrrolidinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-hydroxy-4-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-3-pyrrolidin-1-ylpropanoate Traditional Name: 3-[2-hydroxy-4-(5-thioxo-2H-1,2,4-oxadiazol-3-yl)phenoxy]-2-keto-3-pyrrolidino-propionic acid tert-butyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(N1CCCC1)OC2=C(C=C(C=C2)C3=NC(=S)ON3)O

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C(N1CCCC1)OC2=C(C=C(C=C2)C3=NC(=S)ON3)O

InChI

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