1-[3-ethanoylsulfanyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1,4-dioxo-4-(3,4,5-trimethoxyphenyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(3,4,5-trimethoxyphenyl)butanoyl]proline Formula: C20H25NO8S MolecularWeight: 439.4794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO8S/c1-11(22)30-16(10-17(23)21-7-5-6-13(21)20(25)26)18(24)12-8-14(27-2)19(29-4)15(9-12)28-3/h8-9,13,16H,5-7,10H2,1-4H3,(H,25,26)