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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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