O1-tert-butyl O4-ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1,4-dicarboxylate CAS Name: 4-[(4-fluorophenyl)thio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1,4-dicarboxylate Traditional Name: 4-[(4-fluorophenyl)thio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C19H26FNO4S MolecularWeight: 383.477443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SC2=CC=C(C=C2)F

InChI

InChI=1S/C19H26FNO4S/c1-5-24-16(22)19(26-15-8-6-14(20)7-9-15)10-12-21(13-11-19)17(23)25-18(2,3)4/h6-9H,5,10-13H2,1-4H3