1-(1,2,3-benzothiadiazol-5-yl)-4-(2-carboxy-4-methoxy-1-benzofuran-7-yl)-2-methyl-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(2-carboxy-4-methoxy-1-benzofuran-7-yl)-2-methyl-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(2-carboxy-4-methoxy-benzofuran-7-yl)-2-methyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(2-carboxy-4-methoxy-7-benzofuranyl)-2-methyl-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(2-carboxy-4-methoxy-1-benzofuran-7-yl)-2-methyl-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(2-carboxy-4-methoxy-benzofuran-7-yl)-6-keto-2-methyl-pyrimidine-5-carboxylic acid Formula: C22H14N4O7S MolecularWeight: 478.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C2=CC3=C(C=C2)SN=N3)C(=O)O)C4=C5C(=C(C=C4)OC)C=C(O5)C(=O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1C2=CC3=C(C=C2)SN=N3)C(=O)O)C4=C5C(=C(C=C4)OC)C=C(O5)C(=O)O

InChI

InChI=1S/C22H14N4O7S/c1-9-23-18(11-4-5-14(32-2)12-8-15(21(28)29)33-19(11)12)17(22(30)31)20(27)26(9)10-3-6-16-13(7-10)24-25-34-16/h3-8H,1-2H3,(H,28,29)(H,30,31)