1-(3-butanoylsulfanyl-2-methyl-propanoyl)-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 1-(3-butanoylsulfanyl-2-methyl-propanoyl)-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 1-(3-butanoylsulfanyl-2-methyl-propanoyl)-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-(1-oxobutylthio)propyl]-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 1-(3-butanoylsulfanyl-2-methylpropanoyl)-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 1-[3-(butyrylthio)-2-methyl-propanoyl]-2-pyrroline-2-carboxylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SCC(C)C(=O)N1CCC=C1C(=O)O

Isomeric SMILES

CCCC(=O)SCC(C)C(=O)N1CCC=C1C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-3-5-11(15)19-8-9(2)12(16)14-7-4-6-10(14)13(17)18/h6,9H,3-5,7-8H2,1-2H3,(H,17,18)