tert-butyl (4S,5R)-4-(ethanoylsulfanylmethyl)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S,5R)-4-(ethanoylsulfanylmethyl)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S,5R)-4-(acetylsulfanylmethyl)-2,2-dimethyl-5-(12-methyltridecyl)oxazolidine-3-carboxylate CAS Name: (4S,5R)-4-[(acetylthio)methyl]-2,2-dimethyl-5-(12-methyltridecyl)-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5R)-4-(acetylsulfanylmethyl)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-oxazolidine-3-carboxylate Traditional Name: (4S,5R)-4-[(acetylthio)methyl]-2,2-dimethyl-5-(12-methyltridecyl)oxazolidine-3-carboxylic acid tert-butyl ester Formula: C27H51NO4S MolecularWeight: 485.76314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC1C(N(C(O1)(C)C)C(=O)OC(C)(C)C)CSC(=O)C

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CSC(=O)C

InChI

InChI=1S/C27H51NO4S/c1-21(2)18-16-14-12-10-9-11-13-15-17-19-24-23(20-33-22(3)29)28(27(7,8)31-24)25(30)32-26(4,5)6/h21,23-24H,9-20H2,1-8H3/t23-,24-/m1/s1