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

Systemtic Name: [methyl-[2-(3-phenylpropylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl-[2-(3-phenylpropylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-(3-phenylpropylthio)propyl]amino]-oxomethyl] ester IUPAC Name: [methyl-[2-(3-phenylpropylsulfanyl)propyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [methyl-[2-(3-phenylpropylthio)propyl]carbamoyl] ester Formula: C20H26FN3O3S MolecularWeight: 407.502143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O3S/c1-15(28-10-6-9-16-7-4-3-5-8-16)13-23(2)19(25)27-20(26)24-14-17(21)11-18(24)12-22/h3-5,7-8,15,17-18H,6,9-11,13-14H2,1-2H3