3-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 3-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid Openeye Name: 3-[2-[[4,5-bis(2-furyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[[4,5-bis(2-furanyl)-1H-imidazol-2-yl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid Traditional Name: 3-[2-[[4,5-bis(2-furyl)-1H-imidazol-2-yl]thio]propanoylamino]benzoic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC(=C(N2)C3=CC=CO3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC(=C(N2)C3=CC=CO3)C4=CC=CO4

InChI

InChI=1S/C21H17N3O5S/c1-12(19(25)22-14-6-2-5-13(11-14)20(26)27)30-21-23-17(15-7-3-9-28-15)18(24-21)16-8-4-10-29-16/h2-12H,1H3,(H,22,25)(H,23,24)(H,26,27)