[3-(4-fluorophenyl)propylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [3-(4-fluorophenyl)propylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [3-(4-fluorophenyl)propylsulfanyl-isobutyl-carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[[3-(4-fluorophenyl)propylthio]-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [3-(4-fluorophenyl)propylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [[3-(4-fluorophenyl)propylthio]-isobutyl-carbamoyl] ester Formula: C20H25F2N3O3S MolecularWeight: 425.492606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCCCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCCCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H25F2N3O3S/c1-14(2)12-25(29-9-3-4-15-5-7-16(21)8-6-15)20(27)28-19(26)24-13-17(22)10-18(24)11-23/h5-8,14,17-18H,3-4,9-10,12-13H2,1-2H3