O1-tert-butyl O2-ethyl (2S)-6-(4-methylphenyl)sulfanyl-5-oxidanylidene-piperidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2S)-6-(4-methylphenyl)sulfanyl-5-oxidanylidene-piperidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S)-5-oxo-6-(p-tolylsulfanyl)piperidine-1,2-dicarboxylate CAS Name: (2S)-6-[(4-methylphenyl)thio]-5-oxopiperidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S)-6-(4-methylphenyl)sulfanyl-5-oxopiperidine-1,2-dicarboxylate Traditional Name: (2S)-5-keto-6-(p-tolylthio)piperidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)C(N1C(=O)OC(C)(C)C)SC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC(=O)C(N1C(=O)OC(C)(C)C)SC2=CC=C(C=C2)C

InChI

InChI=1S/C20H27NO5S/c1-6-25-18(23)15-11-12-16(22)17(21(15)19(24)26-20(3,4)5)27-14-9-7-13(2)8-10-14/h7-10,15,17H,6,11-12H2,1-5H3/t15-,17?/m0/s1