N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-27-10-9-22-18-14(3)11-13(2)12-17(18)28-20(22)21-19(24)15-5-7-16(8-6-15)23(25)26/h5-8,11-12H,4,9-10H2,1-3H3