(phenylmethyl) (2R,4R)-2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (2R,4R)-2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylate Openeye Name: benzyl (2R,4R)-4-benzyl-2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxo-oxazolidine-3-carboxylate CAS Name: (2R,4R)-2-tert-butyl-4-[2-(methylthio)ethyl]-5-oxo-4-(phenylmethyl)-3-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,4R)-4-benzyl-2-tert-butyl-4-(2-methylsulfanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate Traditional Name: (2R,4R)-4-benzyl-2-tert-butyl-5-keto-4-[2-(methylthio)ethyl]oxazolidine-3-carboxylic acid benzyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C(C(=O)O1)(CCSC)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H]1N([C@@](C(=O)O1)(CCSC)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4S/c1-24(2,3)21-26(23(28)29-18-20-13-9-6-10-14-20)25(15-16-31-4,22(27)30-21)17-19-11-7-5-8-12-19/h5-14,21H,15-18H2,1-4H3/t21-,25+/m1/s1