3-[(4-fluorophenyl)methylsulfanyl]-1-(furan-2-ylcarbonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-(furan-2-ylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-[(4-fluorophenyl)methylthio]-1-[2-furanyl(oxo)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-[(4-fluorobenzyl)thio]-1-(2-furoyl)proline Formula: C17H16FNO4S MolecularWeight: 349.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1SCC2=CC=C(C=C2)F)C(=O)O)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(C(C1SCC2=CC=C(C=C2)F)C(=O)O)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H16FNO4S/c18-12-5-3-11(4-6-12)10-24-14-7-8-19(15(14)17(21)22)16(20)13-2-1-9-23-13/h1-6,9,14-15H,7-8,10H2,(H,21,22)