ethyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(diethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(diethylamino)phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(diethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(diethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OCC

InChI

InChI=1S/C22H26N4O5S2/c1-4-25(5-2)16-9-7-15(8-10-16)21(28)24-22-26(14-20(27)31-6-3)18-12-11-17(33(23,29)30)13-19(18)32-22/h7-13H,4-6,14H2,1-3H3,(H2,23,29,30)