tert-butyl 2-(2-cyano-3-ethoxy-3-oxidanylidene-propyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyano-3-ethoxy-3-oxidanylidene-propyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyano-3-ethoxy-3-oxo-propyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate CAS Name: 2-(2-cyano-3-ethoxy-3-oxopropyl)-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyano-3-ethoxy-3-oxopropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyano-3-ethoxy-3-keto-propyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CC(CN1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCOC(=O)C(CC1CC(CN1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C23H32N2O5S/c1-6-29-21(26)17(13-24)11-18-12-20(14-25(18)22(27)30-23(2,3)4)31-15-16-7-9-19(28-5)10-8-16/h7-10,17-18,20H,6,11-12,14-15H2,1-5H3