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

Systemtic Name: 3-[6-[(5E)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: 3-[6-[(5E)-5-(2-furylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate CAS Name: 3-[[6-[(5E)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxohexyl]amino]benzoate IUPAC Name: 3-[6-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Traditional Name: 3-[6-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate Formula: C21H19N2O5S2- MolecularWeight: 443.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCCN2C(=O)C(=CC3=CC=CO3)SC2=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCCCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S)C(=O)[O-]

InChI

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