5-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-(furan-2-ylcarbonylamino)benzoic acid

Systemtic Name: 5-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-(furan-2-ylcarbonylamino)benzoic acid Openeye Name: 5-[(5-chloro-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-2-(furan-2-carbonylamino)benzoic acid CAS Name: 5-[[[[(5-chloro-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]-2-[[2-furanyl(oxo)methyl]amino]benzoic acid IUPAC Name: 5-[(5-chloro-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]-2-(furan-2-carbonylamino)benzoic acid Traditional Name: 5-[[(5-chloro-2,4-dimethoxy-phenyl)thio]carbamoylamino]-2-(2-furoylamino)benzoic acid Formula: C21H18ClN3O7S MolecularWeight: 491.90152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O)Cl)OC

InChI

InChI=1S/C21H18ClN3O7S/c1-30-16-10-17(31-2)18(9-13(16)22)33-25-21(29)23-11-5-6-14(12(8-11)20(27)28)24-19(26)15-4-3-7-32-15/h3-10H,1-2H3,(H,24,26)(H,27,28)(H2,23,25,29)