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

Systemtic Name: 2-(2,1-benzothiazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(2,1-benzothiazol-3-yl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(2,1-benzothiazol-3-yl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(2,1-benzothiazol-3-yl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(2,1-benzothiazol-3-yl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C16H8N2O4S MolecularWeight: 324.31072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(SN=C2C=C1)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(SN=C2C=C1)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C16H8N2O4S/c19-13-9-6-5-8(16(21)22)7-11(9)14(20)18(13)15-10-3-1-2-4-12(10)17-23-15/h1-7H,(H,21,22)