1-[3-ethanoylsulfanyl-5-(furan-2-yl)-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-5-(furan-2-yl)-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-5-(2-furyl)-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-5-(2-furanyl)-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-5-(furan-2-yl)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-5-(2-furyl)-5-keto-pentanoyl]proline Formula: C16H19NO6S MolecularWeight: 353.39016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=CO1)CC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=CO1)CC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H19NO6S/c1-10(18)24-11(8-13(19)14-5-3-7-23-14)9-15(20)17-6-2-4-12(17)16(21)22/h3,5,7,11-12H,2,4,6,8-9H2,1H3,(H,21,22)