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

Systemtic Name: 3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-4-keto-5-(5-nitro-2-pyrrolidino-benzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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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)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H17N3O5S2/c25-19-18(31-21(30)23(19)15-5-3-4-13(10-15)20(26)27)12-14-11-16(24(28)29)6-7-17(14)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9H2,(H,26,27)/b18-12+