(2S)-4-tert-butyl-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-4-tert-butyl-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-tert-butyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-tert-butyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-tert-butyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-tert-butyl-3-pyrroline-2-carboxylic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(=CC1C(=O)O)C(C)(C)C

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(=C[C@H]1C(=O)O)C(C)(C)C

InChI

InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)13(18)16-7-11(15(3,4)5)6-12(16)14(19)20/h6,9,12H,7-8H2,1-5H3,(H,19,20)/t9?,12-/m0/s1