3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-4-keto-5-(5-nitro-2-pyrrolidino-benzylidene)-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C17H17N3O5S2 MolecularWeight: 407.46398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)N(C(=S)S3)CCC(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O

InChI

InChI=1S/C17H17N3O5S2/c21-15(22)5-8-19-16(23)14(27-17(19)26)10-11-9-12(20(24)25)3-4-13(11)18-6-1-2-7-18/h3-4,9-10H,1-2,5-8H2,(H,21,22)/b14-10+