O1-tert-butyl O4-methyl (3S,4R)-3-(phenylmethylsulfanyl)piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl (3S,4R)-3-(phenylmethylsulfanyl)piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl (3S,4R)-3-benzylsulfanylpiperidine-1,4-dicarboxylate CAS Name: (3S,4R)-3-(phenylmethylthio)piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl (3S,4R)-3-benzylsulfanylpiperidine-1,4-dicarboxylate Traditional Name: (3S,4R)-3-(benzylthio)piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)SCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)SCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H27NO4S/c1-19(2,3)24-18(22)20-11-10-15(17(21)23-4)16(12-20)25-13-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3/t15-,16+/m0/s1