1-[4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]proline Formula: C23H22FNO6S MolecularWeight: 459.487283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(CC(=O)N2CCCC2C(=O)O)SC(=O)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(CC(=O)N2CCCC2C(=O)O)SC(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C23H22FNO6S/c1-31-18-10-9-15(12-16(18)24)21(27)19(32-23(30)14-6-3-2-4-7-14)13-20(26)25-11-5-8-17(25)22(28)29/h2-4,6-7,9-10,12,17,19H,5,8,11,13H2,1H3,(H,28,29)