O1-tert-butyl O4-(phenylmethyl) 3-(propan-2-ylsulfanylmethyl)piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 3-(propan-2-ylsulfanylmethyl)piperidine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 3-(isopropylsulfanylmethyl)piperidine-1,4-dicarboxylate CAS Name: 3-[(propan-2-ylthio)methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 3-(propan-2-ylsulfanylmethyl)piperidine-1,4-dicarboxylate Traditional Name: 3-[(isopropylthio)methyl]piperidine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)SCC1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33NO4S/c1-16(2)28-15-18-13-23(21(25)27-22(3,4)5)12-11-19(18)20(24)26-14-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3