1-(2-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)-4-keto-2-methyl-4-phenyl-butanoyl]proline Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-12(20)25-18(2,11-15(21)13-7-4-3-5-8-13)17(24)19-10-6-9-14(19)16(22)23/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,22,23)