methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-thiomorpholin-4-ylcarbonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-thiomorpholin-4-ylcarbonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[oxo(thiomorpholin-4-yl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C18H23FN2O3S MolecularWeight: 366.450223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1C2=CC=CC=C2F)C(=O)N3CCSCC3)C(=O)OC

Isomeric SMILES

CN1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2F)C(=O)N3CCSCC3)C(=O)OC

InChI

InChI=1S/C18H23FN2O3S/c1-20-15(18(23)24-2)11-13(17(22)21-7-9-25-10-8-21)16(20)12-5-3-4-6-14(12)19/h3-6,13,15-16H,7-11H2,1-2H3/t13-,15-,16-/m0/s1