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

Systemtic Name: 3-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C17H10N2O5S2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H10N2O5S2/c20-15-14(8-10-3-1-6-13(7-10)19(23)24)26-17(25)18(15)12-5-2-4-11(9-12)16(21)22/h1-9H,(H,21,22)/b14-8+