5-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(2-furoylamino)phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H20N2O6S/c1-2-19(21(27)24-14-8-9-17(25)16(12-14)22(28)29)31-15-6-3-5-13(11-15)23-20(26)18-7-4-10-30-18/h3-12,19,25H,2H2,1H3,(H,23,26)(H,24,27)(H,28,29)