ethyl 2-[2-[2-(2,5-dimethylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(2,5-dimethylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2,5-dimethylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(2,5-dimethylphenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2,5-dimethylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(2,5-dimethylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21N3O5S/c1-4-29-20(26)12-23-17-11-16(24(27)28)7-8-18(17)30-21(23)22-19(25)10-15-9-13(2)5-6-14(15)3/h5-9,11H,4,10,12H2,1-3H3