tert-butyl (2R,3R)-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoate

Systemtic Name: tert-butyl (2R,3R)-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoate Openeye Name: tert-butyl (2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-propanoate CAS Name: (2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-[(2-nitrophenyl)thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanylpropanoate Traditional Name: (2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-[(2-nitrophenyl)thio]propionic acid tert-butyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]([C@@H](C1=CC=C(C=C1)OC)SC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C20H23NO6S/c1-20(2,3)27-19(23)17(22)18(13-9-11-14(26-4)12-10-13)28-16-8-6-5-7-15(16)21(24)25/h5-12,17-18,22H,1-4H3/t17-,18+/m0/s1