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

Systemtic Name: 3-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(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)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O

InChI

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