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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phthalimido-acetamide Formula: C20H12N4O5S MolecularWeight: 420.39808

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H12N4O5S/c1-2-9-22-15-8-7-12(24(28)29)10-16(15)30-20(22)21-17(25)11-23-18(26)13-5-3-4-6-14(13)19(23)27/h1,3-8,10H,9,11H2