N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide

Systemtic Name: N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Openeye Name: N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide CAS Name: N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide Traditional Name: N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

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