[methyl-[2-[(3-phenoxyphenyl)methylsulfanyl]propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [methyl-[2-[(3-phenoxyphenyl)methylsulfanyl]propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl-[2-[(3-phenoxyphenyl)methylsulfanyl]propyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-[(3-phenoxyphenyl)methylthio]propyl]amino]-oxomethyl] ester IUPAC Name: [methyl-[2-[(3-phenoxyphenyl)methylsulfanyl]propyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [methyl-[2-[(3-phenoxybenzyl)thio]propyl]carbamoyl] ester Formula: C24H26FN3O4S MolecularWeight: 471.544343

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(CN(C)C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H26FN3O4S/c1-17(14-27(2)23(29)32-24(30)28-15-19(25)12-20(28)13-26)33-16-18-7-6-10-22(11-18)31-21-8-4-3-5-9-21/h3-11,17,19-20H,12,14-16H2,1-2H3