1-(2-ethanoylsulfanyl-4-oxidanylidene-4-pyridin-3-yl-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-ethanoylsulfanyl-4-oxidanylidene-4-pyridin-3-yl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-acetylsulfanyl-4-oxo-4-(3-pyridyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-1,4-dioxo-4-(3-pyridinyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-acetylsulfanyl-4-oxo-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)-4-keto-4-(3-pyridyl)butanoyl]proline Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CN=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CN=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-10(19)24-14(8-13(20)11-4-2-6-17-9-11)15(21)18-7-3-5-12(18)16(22)23/h2,4,6,9,12,14H,3,5,7-8H2,1H3,(H,22,23)