1-[4-methoxy-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-methoxy-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-4-methoxy-4-oxo-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-4-methoxy-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-4-methoxy-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-4-keto-4-methoxy-butanoyl]proline Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-24-14(19)10-13(25-17(23)11-6-3-2-4-7-11)15(20)18-9-5-8-12(18)16(21)22/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,21,22)