[2-methylpropyl-[(4-phenylmethoxyphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [2-methylpropyl-[(4-phenylmethoxyphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [(4-benzyloxyphenyl)methylsulfanyl-isobutyl-carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[2-methylpropyl-[(4-phenylmethoxyphenyl)methylthio]amino]-oxomethyl] ester IUPAC Name: [2-methylpropyl-[(4-phenylmethoxyphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [[(4-benzoxybenzyl)thio]-isobutyl-carbamoyl] ester Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28FN3O4S/c1-18(2)14-29(25(31)33-24(30)28-15-21(26)12-22(28)13-27)34-17-20-8-10-23(11-9-20)32-16-19-6-4-3-5-7-19/h3-11,18,21-22H,12,14-17H2,1-2H3