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

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-methyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-methyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-methyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-methyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-methyl-3-pyrroline-2-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C1)C(=O)C(C)CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=C[C@H](N(C1)C(=O)C(C)CSC(=O)C)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-7-4-10(12(16)17)13(5-7)11(15)8(2)6-18-9(3)14/h4,8,10H,5-6H2,1-3H3,(H,16,17)/t8?,10-/m0/s1