2-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C22H12N2O4S MolecularWeight: 400.40668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

InChI=1S/C22H12N2O4S/c25-20-15-9-8-13(22(27)28)11-16(15)21(26)24(20)14-5-3-4-12(10-14)19-23-17-6-1-2-7-18(17)29-19/h1-11H,(H,27,28)