2-(2,5-dimethylphenyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-(2,5-dimethylphenyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-(2,5-dimethylphenyl)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O4S/c1-4-28-10-9-23-18-13-17(24(26)27)7-8-19(18)29-21(23)22-20(25)12-16-11-14(2)5-6-15(16)3/h5-8,11,13H,4,9-10,12H2,1-3H3