3,4,5-triethoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,4,5-triethoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,4,5-triethoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,4,5-triethoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,4,5-triethoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

InChI

InChI=1S/C22H25N3O6S/c1-5-24-16-10-9-15(25(27)28)13-19(16)32-22(24)23-21(26)14-11-17(29-6-2)20(31-8-4)18(12-14)30-7-3/h9-13H,5-8H2,1-4H3