2,4-bis(chloranyl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid Openeye Name: 2,4-dichloro-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid CAS Name: 2,4-dichloro-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid Traditional Name: 2,4-dichloro-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid Formula: C16H12Cl2N2O5S2 MolecularWeight: 447.31288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O5S2/c1-2-25-8-3-4-12-13(5-8)26-16(19-12)20-27(23,24)14-6-9(15(21)22)10(17)7-11(14)18/h3-7H,2H2,1H3,(H,19,20)(H,21,22)