ethyl (3S,4R,5S)-5-methyl-2-(phenylmethyl)-4-propylsulfanylcarbonyl-1,2-oxazolidine-3-carboxylate

Systemtic Name: ethyl (3S,4R,5S)-5-methyl-2-(phenylmethyl)-4-propylsulfanylcarbonyl-1,2-oxazolidine-3-carboxylate Openeye Name: ethyl (3S,4R,5S)-2-benzyl-5-methyl-4-propylsulfanylcarbonyl-isoxazolidine-3-carboxylate CAS Name: (3S,4R,5S)-5-methyl-4-[oxo-(propylthio)methyl]-2-(phenylmethyl)-3-isoxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,5S)-2-benzyl-5-methyl-4-propylsulfanylcarbonyl-1,2-oxazolidine-3-carboxylate Traditional Name: (3S,4R,5S)-2-benzyl-5-methyl-4-(propylthio)carbonyl-isoxazolidine-3-carboxylic acid ethyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1C(ON(C1C(=O)OCC)CC2=CC=CC=C2)C

Isomeric SMILES

CCCSC(=O)[C@H]1[C@@H](ON([C@@H]1C(=O)OCC)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H25NO4S/c1-4-11-24-18(21)15-13(3)23-19(16(15)17(20)22-5-2)12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3/t13-,15-,16-/m0/s1