O1-tert-butyl O4-ethyl 4-[2-(4-phenoxyphenyl)sulfanylethyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[2-(4-phenoxyphenyl)sulfanylethyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[2-(4-phenoxyphenyl)sulfanylethyl]piperidine-1,4-dicarboxylate CAS Name: 4-[2-[(4-phenoxyphenyl)thio]ethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[2-(4-phenoxyphenyl)sulfanylethyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[2-[(4-phenoxyphenyl)thio]ethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CCSC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CCSC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H35NO5S/c1-5-31-24(29)27(15-18-28(19-16-27)25(30)33-26(2,3)4)17-20-34-23-13-11-22(12-14-23)32-21-9-7-6-8-10-21/h6-14H,5,15-20H2,1-4H3