methyl 2-(2-aminocarbonylaziridin-1-yl)-3-[(2-oxidanylidenepyrrolidin-1-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 2-(2-aminocarbonylaziridin-1-yl)-3-[(2-oxidanylidenepyrrolidin-1-yl)methylsulfanyl]propanoate Openeye Name: methyl 2-(2-carbamoylaziridin-1-yl)-3-[(2-oxopyrrolidin-1-yl)methylsulfanyl]propanoate CAS Name: 2-(2-carbamoyl-1-aziridinyl)-3-[(2-oxo-1-pyrrolidinyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 2-(2-carbamoylaziridin-1-yl)-3-[(2-oxopyrrolidin-1-yl)methylsulfanyl]propanoate Traditional Name: 2-(2-carbamoylethylenimin-1-yl)-3-[(2-ketopyrrolidino)methylthio]propionic acid methyl ester Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCN1CCCC1=O)N2CC2C(=O)N

Isomeric SMILES

COC(=O)C(CSCN1CCCC1=O)N2CC2C(=O)N

InChI

InChI=1S/C12H19N3O4S/c1-19-12(18)9(15-5-8(15)11(13)17)6-20-7-14-4-2-3-10(14)16/h8-9H,2-7H2,1H3,(H2,13,17)