ethyl 2-[2-[4-(dimethylsulfamoyl)phenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(dimethylsulfamoyl)phenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(dimethylsulfamoyl)benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(dimethylsulfamoyl)benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dimethylsulfamoyl)benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20N4O7S2 MolecularWeight: 492.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7S2/c1-4-31-18(25)12-23-16-11-14(24(27)28)7-10-17(16)32-20(23)21-19(26)13-5-8-15(9-6-13)33(29,30)22(2)3/h5-11H,4,12H2,1-3H3