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

Systemtic Name: S-(2-cyanoethyl) 3-[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-azetidin-3-yl]propanethioate Openeye Name: S-(2-cyanoethyl) 3-[1-(1,3-dioxoisoindolin-2-yl)-2-oxo-azetidin-3-yl]propanethioate CAS Name: 3-[1-(1,3-dioxo-2-isoindolyl)-2-oxo-3-azetidinyl]propanethioic acid S-(2-cyanoethyl) ester IUPAC Name: S-(2-cyanoethyl) 3-[1-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-3-yl]propanethioate Traditional Name: 3-(2-keto-1-phthalimido-azetidin-3-yl)propanethioic acid S-(2-cyanoethyl) ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1N2C(=O)C3=CC=CC=C3C2=O)CCC(=O)SCCC#N

Isomeric SMILES

C1C(C(=O)N1N2C(=O)C3=CC=CC=C3C2=O)CCC(=O)SCCC#N

InChI

InChI=1S/C17H15N3O4S/c18-8-3-9-25-14(21)7-6-11-10-19(15(11)22)20-16(23)12-4-1-2-5-13(12)17(20)24/h1-2,4-5,11H,3,6-7,9-10H2