1-[3-ethanoylsulfanyl-4-(1-methylimidazol-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4-(1-methylimidazol-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(1-methylimidazol-2-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(1-methyl-2-imidazolyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(1-methylimidazol-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(1-methylimidazol-2-yl)butanoyl]proline Formula: C15H19N3O5S MolecularWeight: 353.39346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=NC=CN2C

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=NC=CN2C

InChI

InChI=1S/C15H19N3O5S/c1-9(19)24-11(13(21)14-16-5-7-17(14)2)8-12(20)18-6-3-4-10(18)15(22)23/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,22,23)