O-(2,2-dimethylpropyl) [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-cyano-butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-(2,2-dimethylpropyl) [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-cyano-butan-2-yl]sulfanylmethanethioate Openeye Name: O-(2,2-dimethylpropyl) [3-cyano-1-[(1,3-dioxoisoindolin-2-yl)methyl]propyl]sulfanylmethanethioate CAS Name: [[4-cyano-1-(1,3-dioxo-2-isoindolyl)butan-2-yl]thio]methanethioic acid O-(2,2-dimethylpropyl) ester IUPAC Name: O-(2,2-dimethylpropyl) [4-cyano-1-(1,3-dioxoisoindol-2-yl)butan-2-yl]sulfanylmethanethioate Traditional Name: [[3-cyano-1-(phthalimidomethyl)propyl]thio]methanethioic acid O-neopentyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=S)SC(CCC#N)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)COC(=S)SC(CCC#N)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C19H22N2O3S2/c1-19(2,3)12-24-18(25)26-13(7-6-10-20)11-21-16(22)14-8-4-5-9-15(14)17(21)23/h4-5,8-9,13H,6-7,11-12H2,1-3H3