N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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