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

Systemtic Name: 1-(3-ethanoylsulfanyl-4-oxidanylidene-4-pyridin-3-yl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-oxo-4-(3-pyridyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1,4-dioxo-4-(3-pyridinyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-4-oxo-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

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