5-[[4-(furan-2-ylcarbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(furan-2-ylcarbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(furan-2-carbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[4-[[2-furanyl(oxo)methyl]amino]phenyl]thio]amino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(furan-2-carbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[4-(2-furoylamino)phenyl]thio]carbamoylamino]isophthalic acid Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O7S/c24-17(16-2-1-7-30-16)21-13-3-5-15(6-4-13)31-23-20(29)22-14-9-11(18(25)26)8-12(10-14)19(27)28/h1-10H,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)