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

Systemtic Name: 2,6-bis[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 2,6-bis[(5E)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 2,6-bis[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 2,6-bis[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 2,6-bis[(5E)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C26H20N4O8S4 MolecularWeight: 644.719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCCC(C(=O)O)N3C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])SC3=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCCC(C(=O)O)N3C(=O)/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/SC3=S)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O8S4/c31-22-20(13-15-4-8-17(9-5-15)29(35)36)41-25(39)27(22)12-2-1-3-19(24(33)34)28-23(32)21(42-26(28)40)14-16-6-10-18(11-7-16)30(37)38/h4-11,13-14,19H,1-3,12H2,(H,33,34)/b20-13+,21-14+