(2-methoxycarbonylphenyl) (2S,4R)-4-ethanoylsulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: (2-methoxycarbonylphenyl) (2S,4R)-4-ethanoylsulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidine-1-carboxylate Openeye Name: (2-methoxycarbonylphenyl) (2S,4R)-4-acetylsulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-(acetylthio)-2-[(2,4,5-trifluorophenyl)methoxymethyl]-1-pyrrolidinecarboxylic acid (2-methoxycarbonylphenyl) ester IUPAC Name: (2-methoxycarbonylphenyl) (2S,4R)-4-acetylsulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-(acetylthio)-2-[(2,4,5-trifluorobenzyl)oxymethyl]pyrrolidine-1-carboxylic acid (2-carbomethoxyphenyl) ester Formula: C23H22F3NO6S MolecularWeight: 497.48409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OC2=CC=CC=C2C(=O)OC)COCC3=CC(=C(C=C3F)F)F

Isomeric SMILES

CC(=O)S[C@@H]1C[C@H](N(C1)C(=O)OC2=CC=CC=C2C(=O)OC)COCC3=CC(=C(C=C3F)F)F

InChI

InChI=1S/C23H22F3NO6S/c1-13(28)34-16-8-15(12-32-11-14-7-19(25)20(26)9-18(14)24)27(10-16)23(30)33-21-6-4-3-5-17(21)22(29)31-2/h3-7,9,15-16H,8,10-12H2,1-2H3/t15-,16+/m0/s1