1-[2-(4-nitrophenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-nitrophenyl)thio]acetyl]proline Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N2O5S/c16-12(14-7-1-2-11(14)13(17)18)8-21-10-5-3-9(4-6-10)15(19)20/h3-6,11H,1-2,7-8H2,(H,17,18)