2-[4-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[4-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[4-(5-carboxy-1,3-dioxo-isoindolin-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[4-(5-carboxy-1,3-dioxo-2-isoindolyl)phenyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[4-(5-carboxy-1,3-diketo-isoindolin-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid Formula: C23H12N2O6S MolecularWeight: 444.41618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)O)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)O)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

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