O1-tert-butyl O4-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[(4-methoxyphenyl)methylsulfanyl]piperidine-1,4-dicarboxylate Traditional Name: 4-(p-anisylthio)piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H31NO5S/c1-6-26-18(23)21(28-15-16-7-9-17(25-5)10-8-16)11-13-22(14-12-21)19(24)27-20(2,3)4/h7-10H,6,11-15H2,1-5H3