O1-tert-butyl O2-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1,2-dicarboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1,2-dicarboxylate Traditional Name: 4-(p-anisylthio)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CN1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1CC(CN1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H29NO5S/c1-6-25-18(22)17-11-16(12-21(17)19(23)26-20(2,3)4)27-13-14-7-9-15(24-5)10-8-14/h7-10,16-17H,6,11-13H2,1-5H3