2-[[[2,5-bis(fluoranyl)phenyl]methylamino]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methylamino]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 4-acetylsulfanyl-2-[[(2,5-difluorophenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid CAS Name: 4-(acetylthio)-2-[[(2,5-difluorophenyl)methylamino]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-acetylsulfanyl-2-[[(2,5-difluorophenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 4-(acetylthio)-2-[[(2,5-difluorobenzyl)amino]methyl]pyrrolidine-1-carboxylic acid Formula: C15H18F2N2O3S MolecularWeight: 344.376826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)O)CNCC2=C(C=CC(=C2)F)F

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)O)CNCC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C15H18F2N2O3S/c1-9(20)23-13-5-12(19(8-13)15(21)22)7-18-6-10-4-11(16)2-3-14(10)17/h2-4,12-13,18H,5-8H2,1H3,(H,21,22)