1-(1-ethanoylpiperidin-4-yl)carbonyl-3-[(4-fluorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(1-ethanoylpiperidin-4-yl)carbonyl-3-[(4-fluorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(1-acetylpiperidine-4-carbonyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(1-acetyl-4-piperidinyl)-oxomethyl]-3-[(4-fluorophenyl)methylthio]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1-acetylpiperidine-4-carbonyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(1-acetylisonipecotoyl)-3-[(4-fluorobenzyl)thio]proline Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N2CCC(C2C(=O)O)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N2CCC(C2C(=O)O)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O4S/c1-13(24)22-9-6-15(7-10-22)19(25)23-11-8-17(18(23)20(26)27)28-12-14-2-4-16(21)5-3-14/h2-5,15,17-18H,6-12H2,1H3,(H,26,27)