(phenylmethyl) (2S)-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]-1,3-thiazolidine-3-carboxylate Openeye Name: benzyl (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]thiazolidine-3-carboxylate CAS Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-3-thiazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-thiazolidine-3-carboxylate Traditional Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]thiazolidine-3-carboxylic acid benzyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1C(=O)OCC2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CS[C@H](N1C(=O)OCC2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H18N2O5S/c21-16(14-6-8-15(9-7-14)20(23)24)17-19(10-11-26-17)18(22)25-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2/t16-,17+/m1/s1