tert-butyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]carbothioylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]carbothioylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(1,3-dioxoisoindoline-2-carbothioyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1,3-dioxo-2-isoindolyl)-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1,3-dioxoisoindole-2-carbothioyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(1,3-diketoisoindoline-2-carbothioyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=S)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=S)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H20N2O4S/c1-18(2,3)24-17(23)19-10-6-9-13(19)16(25)20-14(21)11-7-4-5-8-12(11)15(20)22/h4-5,7-8,13H,6,9-10H2,1-3H3/t13-/m0/s1