2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[3-(4-fluorophenyl)-3-oxo-propyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[3-(4-fluorophenyl)-3-oxopropyl]-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[3-(4-fluorophenyl)-3-oxopropyl]-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[3-(4-fluorophenyl)-3-keto-propyl]-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FNO4S/c1-28-19-9-2-15(3-10-19)14-29-20-12-18(24(13-20)22(26)27)8-11-21(25)16-4-6-17(23)7-5-16/h2-7,9-10,18,20H,8,11-14H2,1H3,(H,26,27)