2-[4-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-1,3-benzothiazole-4-carboxylic acid

Systemtic Name: 2-[4-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-1,3-benzothiazole-4-carboxylic acid Openeye Name: 2-[4-(5-carboxy-1,3-dioxo-isoindolin-2-yl)phenyl]-1,3-benzothiazole-4-carboxylic acid CAS Name: 2-[4-(5-carboxy-1,3-dioxo-2-isoindolyl)phenyl]-1,3-benzothiazole-4-carboxylic acid IUPAC Name: 2-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-1,3-benzothiazole-4-carboxylic acid Traditional Name: 2-[4-(5-carboxy-1,3-diketo-isoindolin-2-yl)phenyl]-1,3-benzothiazole-4-carboxylic acid Formula: C23H12N2O6S MolecularWeight: 444.41618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C23H12N2O6S/c26-20-14-9-6-12(22(28)29)10-16(14)21(27)25(20)13-7-4-11(5-8-13)19-24-18-15(23(30)31)2-1-3-17(18)32-19/h1-10H,(H,28,29)(H,30,31)