methyl 3-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(5-bromothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-bromothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(5-bromothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H14BrN3O5S3 MolecularWeight: 504.39846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H14BrN3O5S3/c1-25-14(21)6-7-20-10-3-2-9(28(18,23)24)8-12(10)27-16(20)19-15(22)11-4-5-13(17)26-11/h2-5,8H,6-7H2,1H3,(H2,18,23,24)