methyl 2-[2-(4-dimethylaminophenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-dimethylaminophenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(dimethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(dimethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dimethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

InChI=1S/C19H20N4O5S2/c1-22(2)13-6-4-12(5-7-13)18(25)21-19-23(11-17(24)28-3)15-9-8-14(30(20,26)27)10-16(15)29-19/h4-10H,11H2,1-3H3,(H2,20,26,27)