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

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-propargyl-3-pyrroline-2-carboxylic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-4-5-11-6-12(14(18)19)15(7-11)13(17)9(2)8-20-10(3)16/h1,6,9,12H,5,7-8H2,2-3H3,(H,18,19)/t9?,12-/m0/s1