1-(3-ethanoylsulfanylpropanoyl)-4-ethyl-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-ethyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-ethyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-ethyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-ethyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-ethyl-3-pyrroline-2-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(N(C1)C(=O)CCSC(=O)C)C(=O)O

Isomeric SMILES

CCC1=CC(N(C1)C(=O)CCSC(=O)C)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-3-9-6-10(12(16)17)13(7-9)11(15)4-5-18-8(2)14/h6,10H,3-5,7H2,1-2H3,(H,16,17)