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

Systemtic Name: [methyl-[2-(pyridin-3-ylmethylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl-[2-(3-pyridylmethylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-(3-pyridinylmethylthio)propyl]amino]-oxomethyl] ester IUPAC Name: [methyl-[2-(pyridin-3-ylmethylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [methyl-[2-(3-pyridylmethylthio)propyl]carbamoyl] ester Formula: C17H21FN4O3S MolecularWeight: 380.437043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN4O3S/c1-12(26-11-13-4-3-5-20-8-13)9-21(2)16(23)25-17(24)22-10-14(18)6-15(22)7-19/h3-5,8,12,14-15H,6,9-11H2,1-2H3