S-(2-cyanoethyl) 3-[1,3-bis(oxidanylidene)-2-(2-oxidanylideneazetidin-1-yl)isoindol-5-yl]propanethioate

Systemtic Name: S-(2-cyanoethyl) 3-[1,3-bis(oxidanylidene)-2-(2-oxidanylideneazetidin-1-yl)isoindol-5-yl]propanethioate Openeye Name: S-(2-cyanoethyl) 3-[1,3-dioxo-2-(2-oxoazetidin-1-yl)isoindolin-5-yl]propanethioate CAS Name: 3-[1,3-dioxo-2-(2-oxo-1-azetidinyl)-5-isoindolyl]propanethioic acid S-(2-cyanoethyl) ester IUPAC Name: S-(2-cyanoethyl) 3-[1,3-dioxo-2-(2-oxoazetidin-1-yl)isoindol-5-yl]propanethioate Traditional Name: 3-[1,3-diketo-2-(2-ketoazetidin-1-yl)isoindolin-5-yl]propanethioic acid S-(2-cyanoethyl) ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)CCC(=O)SCCC#N

Isomeric SMILES

C1CN(C1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)CCC(=O)SCCC#N

InChI

InChI=1S/C17H15N3O4S/c18-7-1-9-25-15(22)5-3-11-2-4-12-13(10-11)17(24)20(16(12)23)19-8-6-14(19)21/h2,4,10H,1,3,5-6,8-9H2