4-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(2-furoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H16N2O5S/c23-18(21-14-8-6-13(7-9-14)20(25)26)12-28-16-4-1-3-15(11-16)22-19(24)17-5-2-10-27-17/h1-11H,12H2,(H,21,23)(H,22,24)(H,25,26)