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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=CC=N2

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=CC=N2

InChI

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