N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide

Systemtic Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-3-27-12-11-22-17-10-9-14(28-4-2)13-18(17)29-20(22)21-19(24)15-7-5-6-8-16(15)23(25)26/h5-10,13H,3-4,11-12H2,1-2H3