prop-2-enyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-ethanoylsulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: prop-2-enyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-ethanoylsulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: allyl 1-acetylsulfanyl-2-[(1,3-dioxoisoindolin-2-yl)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(acetylthio)-2-[(1,3-dioxo-2-isoindolyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 1-acetylsulfanyl-2-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(acetylthio)-2-(phthalimidomethyl)pyrrolidin-1-ium-1-carboxylic acid allyl ester Formula: C19H21N2O5S+ MolecularWeight: 389.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S[N+]1(CCCC1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC=C

Isomeric SMILES

CC(=O)S[N+]1(CCCC1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC=C

InChI

InChI=1S/C19H21N2O5S/c1-3-11-26-19(25)21(27-13(2)22)10-6-7-14(21)12-20-17(23)15-8-4-5-9-16(15)18(20)24/h3-5,8-9,14H,1,6-7,10-12H2,2H3/q+1