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

Systemtic Name: [methyl-[2-[(4-methylphenyl)methylsulfanyl]propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl-[2-(p-tolylmethylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-[(4-methylphenyl)methylthio]propyl]amino]-oxomethyl] ester IUPAC Name: [methyl-[2-[(4-methylphenyl)methylsulfanyl]propyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [methyl-[2-[(4-methylbenzyl)thio]propyl]carbamoyl] ester Formula: C19H24FN3O3S MolecularWeight: 393.475563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(C)CN(C)C(=O)OC(=O)N2CC(CC2C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC(C)CN(C)C(=O)OC(=O)N2CC(CC2C#N)F

InChI

InChI=1S/C19H24FN3O3S/c1-13-4-6-15(7-5-13)12-27-14(2)10-22(3)18(24)26-19(25)23-11-16(20)8-17(23)9-21/h4-7,14,16-17H,8,10-12H2,1-3H3