benzene; 2-[6-(6-carboxy-1,3-benzothiazol-2-yl)pyridin-3-yl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: benzene; 2-[6-(6-carboxy-1,3-benzothiazol-2-yl)pyridin-3-yl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: benzene; 2-[6-(6-carboxy-1,3-benzothiazol-2-yl)-3-pyridyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: benzene; 2-[6-(6-carboxy-1,3-benzothiazol-2-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: benzene; 2-[6-(6-carboxy-1,3-benzothiazol-2-yl)pyridin-3-yl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: benzene; 2-[6-(6-carboxy-1,3-benzothiazol-2-yl)-3-pyridyl]-1,3-benzothiazole-6-carboxylic acid Formula: C27H17N3O4S2 MolecularWeight: 511.57158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC2=C(C=C1C(=O)O)SC(=N2)C3=CN=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=CC=C1.C1=CC2=C(C=C1C(=O)O)SC(=N2)C3=CN=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C21H11N3O4S2.C6H6/c25-20(26)10-1-4-13-16(7-10)29-18(23-13)12-3-6-15(22-9-12)19-24-14-5-2-11(21(27)28)8-17(14)30-19;1-2-4-6-5-3-1/h1-9H,(H,25,26)(H,27,28);1-6H