5-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[4-(2-furoylamino)phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-12(19(25)23-14-6-9-17(24)16(11-14)21(27)28)30-15-7-4-13(5-8-15)22-20(26)18-3-2-10-29-18/h2-12,24H,1H3,(H,22,26)(H,23,25)(H,27,28)