dimethyl 2-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)benzene-1,4-dicarboxylate CAS Name: 2-(2-benzo[e][1,3]benzothiazolylsulfamoyl)benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)benzene-1,4-dicarboxylate Traditional Name: 2-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H16N2O6S2 MolecularWeight: 456.49154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H16N2O6S2/c1-28-19(24)13-7-9-15(20(25)29-2)17(11-13)31(26,27)23-21-22-18-14-6-4-3-5-12(14)8-10-16(18)30-21/h3-11H,1-2H3,(H,22,23)