5-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]isophthalic acid Formula: C20H13N3O5S MolecularWeight: 407.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C20H13N3O5S/c24-18(25)12-7-11(8-13(9-12)19(26)27)16-6-5-14(28-16)10-21-23-20-22-15-3-1-2-4-17(15)29-20/h1-10H,(H,22,23)(H,24,25)(H,26,27)/b21-10+