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

Systemtic Name: methyl 2-[2-(2-iodanylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-iodobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-iodophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-iodobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-iodobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H14IN3O5S2 MolecularWeight: 531.34463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CC=C3I

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C17H14IN3O5S2/c1-26-15(22)9-21-13-7-6-10(28(19,24)25)8-14(13)27-17(21)20-16(23)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,24,25)