2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phthalimido-acetamide Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C

InChI

InChI=1S/C21H15N3O5S2/c1-3-10-23-16-9-8-13(31(2,28)29)11-17(16)30-21(23)22-18(25)12-24-19(26)14-6-4-5-7-15(14)20(24)27/h1,4-9,11H,10,12H2,2H3