(2S)-4-ethynyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-4-ethynyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-4-ethynyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-4-ethynyl-1-(3-mercapto-2-methyl-1-oxopropyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-4-ethynyl-1-(2-methyl-3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-4-ethynyl-1-(3-mercapto-2-methyl-propanoyl)-3-pyrroline-2-carboxylic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-3-8-4-9(11(14)15)12(5-8)10(13)7(2)6-16/h1,4,7,9,16H,5-6H2,2H3,(H,14,15)/t7?,9-/m0/s1