4-[6-[(5E)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid

Systemtic Name: 4-[6-[(5E)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Openeye Name: 4-[6-[(5E)-5-(2-furylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid CAS Name: 4-[[6-[(5E)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-[6-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Traditional Name: 4-[6-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5S2/c24-18(22-15-9-7-14(8-10-15)20(26)27)6-2-1-3-11-23-19(25)17(30-21(23)29)13-16-5-4-12-28-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,22,24)(H,26,27)/b17-13+