O3-tert-butyl O1-ethyl 2-(2-tert-butylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-ethynyl-propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-(2-tert-butylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-ethynyl-propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-(2-tert-butylsulfanyl-4-oxo-azetidin-1-yl)-2-ethynyl-propanedioate CAS Name: 2-[2-(tert-butylthio)-4-oxo-1-azetidinyl]-2-ethynylpropanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-(2-tert-butylsulfanyl-4-oxoazetidin-1-yl)-2-ethynylpropanedioate Traditional Name: 2-[2-(tert-butylthio)-4-keto-azetidin-1-yl]-2-ethynyl-malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#C)(C(=O)OC(C)(C)C)N1C(CC1=O)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C#C)(C(=O)OC(C)(C)C)N1C(CC1=O)SC(C)(C)C

InChI

InChI=1S/C18H27NO5S/c1-9-18(14(21)23-10-2,15(22)24-16(3,4)5)19-12(20)11-13(19)25-17(6,7)8/h1,13H,10-11H2,2-8H3