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

Systemtic Name: 4-chloranyl-3-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-(2-furoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H15ClN2O5S MolecularWeight: 430.8615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O5S/c21-15-7-6-12(20(26)27)9-16(15)23-18(24)11-29-14-4-1-3-13(10-14)22-19(25)17-5-2-8-28-17/h1-10H,11H2,(H,22,25)(H,23,24)(H,26,27)