6-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-4-keto-5-(5-nitro-2-pyrrolidino-benzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c24-18(25)6-2-1-3-11-22-19(26)17(30-20(22)29)13-14-12-15(23(27)28)7-8-16(14)21-9-4-5-10-21/h7-8,12-13H,1-6,9-11H2,(H,24,25)/b17-13+