methyl 3-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H16N4O5S3 MolecularWeight: 476.54914

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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=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H16N4O5S3/c1-28-17(24)6-7-23-14-5-3-12(31(20,26)27)9-16(14)30-19(23)22-18(25)11-2-4-13-15(8-11)29-10-21-13/h2-5,8-10H,6-7H2,1H3,(H2,20,26,27)