ditert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine-1,2-dicarboxylate

Systemtic Name: ditert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine-1,2-dicarboxylate Openeye Name: ditert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine-1,2-dicarboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]pyrazolidine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine-1,2-dicarboxylate Traditional Name: 4-(p-anisylthio)pyrazolidine-1,2-dicarboxylic acid ditert-butyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CN1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CN1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H32N2O5S/c1-20(2,3)27-18(24)22-12-17(13-23(22)19(25)28-21(4,5)6)29-14-15-8-10-16(26-7)11-9-15/h8-11,17H,12-14H2,1-7H3